PubChemLite - 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid (C23H25F2N5O2)

Structural Information

Molecular Formula

SMILES

C1CC2(CCCN2C1)NCC3=CN(C4=CN=C(C=C43)C(=O)NO)CC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C23H25F2N5O2/c24-17-4-3-15(19(25)9-17)13-29-14-16(11-27-23-5-1-7-30(23)8-2-6-23)18-10-20(22(31)28-32)26-12-21(18)29/h3-4,9-10,12,14,27,32H,1-2,5-8,11,13H2,(H,28,31)

InChIKey

KFCZNHWKTIDEQN-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	442.20491	196.7
[M+Na]+	464.18685	203.7
[M-H]-	440.19035	202.1
[M+NH4]+	459.23145	209.9
[M+K]+	480.16079	197.0
[M+H-H2O]+	424.19489	186.1
[M+HCOO]-	486.19583	212.8
[M+CH3COO]-	500.21148	204.7
[M+Na-2H]-	462.17230	194.7
[M]+	441.19708	194.5
[M]-	441.19818	194.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.20491

196.7

[M+Na]+

464.18685

203.7

[M-H]-

440.19035

202.1

[M+NH4]+

459.23145

209.9

[M+K]+

480.16079

197.0

[M+H-H2O]+

424.19489

186.1

[M+HCOO]-

486.19583

212.8

[M+CH3COO]-

500.21148

204.7

[M+Na-2H]-

462.17230

194.7

[M]+

441.19708

194.5

[M]-

441.19818

194.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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