PubChemLite - 1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(2,4-difluorophenyl)methyl]-n-hydroxy-3-[[[2-(2-pyridinyl)ethyl]amino]methyl]- (C23H21F2N5O2)

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)CCNCC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H21F2N5O2/c24-17-5-4-15(20(25)9-17)13-30-14-16(11-26-8-6-18-3-1-2-7-27-18)19-10-21(23(31)29-32)28-12-22(19)30/h1-5,7,9-10,12,14,26,32H,6,8,11,13H2,(H,29,31)

InChIKey

MEZXFWIVSFDUGT-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(2-pyridin-2-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]+	438.17360	201.7
[M+Na]+	460.15554	209.7
[M-H]-	436.15904	205.5
[M+NH4]+	455.20014	208.4
[M+K]+	476.12948	201.4
[M+H-H2O]+	420.16358	188.3
[M+HCOO]-	482.16452	220.0
[M+CH3COO]-	496.18017	209.3
[M+Na-2H]-	458.14099	203.9
[M]+	437.16577	202.0
[M]-	437.16687	202.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.17360

201.7

[M+Na]+

460.15554

209.7

[M-H]-

436.15904

205.5

[M+NH4]+

455.20014

208.4

[M+K]+

476.12948

201.4

[M+H-H2O]+

420.16358

188.3

[M+HCOO]-

482.16452

220.0

[M+CH3COO]-

496.18017

209.3

[M+Na-2H]-

458.14099

203.9

[M]+

437.16577

202.0

[M]-

437.16687

202.0

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

1h-pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(2,4-difluorophenyl)methyl]-n-hydroxy-3-[[[2-(2-pyridinyl)ethyl]amino]methyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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