PubChemLite - Schembl4808337 (C22H25F2N5O3)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCNCC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H25F2N5O3/c23-17-2-1-15(19(24)9-17)13-29-14-16(11-25-3-4-28-5-7-32-8-6-28)18-10-20(22(30)27-31)26-12-21(18)29/h1-2,9-10,12,14,25,31H,3-8,11,13H2,(H,27,30)

InChIKey

CVYCWRICIOIRDW-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(2-morpholin-4-ylethylamino)methyl]pyrrolo[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]+	446.19982	204.4
[M+Na]+	468.18176	210.0
[M-H]-	444.18526	207.7
[M+NH4]+	463.22636	209.2
[M+K]+	484.15570	204.0
[M+H-H2O]+	428.18980	191.1
[M+HCOO]-	490.19074	218.1
[M+CH3COO]-	504.20639	210.8
[M+Na-2H]-	466.16721	204.5
[M]+	445.19199	202.2
[M]-	445.19309	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.19982

204.4

[M+Na]+

468.18176

210.0

[M-H]-

444.18526

207.7

[M+NH4]+

463.22636

209.2

[M+K]+

484.15570

204.0

[M+H-H2O]+

428.18980

191.1

[M+HCOO]-

490.19074

218.1

[M+CH3COO]-

504.20639

210.8

[M+Na-2H]-

466.16721

204.5

[M]+

445.19199

202.2

[M]-

445.19309

202.2

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

Schembl4808337

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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