PubChemLite - Schembl4804663 (C24H23F2N5O2)

Structural Information

Molecular Formula

SMILES

CN(CCC1=CC=CC=N1)CC2=CN(C3=CN=C(C=C32)C(=O)NO)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H23F2N5O2/c1-30(9-7-19-4-2-3-8-27-19)13-17-15-31(14-16-5-6-18(25)10-21(16)26)23-12-28-22(11-20(17)23)24(32)29-33/h2-6,8,10-12,15,33H,7,9,13-14H2,1H3,(H,29,32)

InChIKey

UETZRPWXYXJGTA-UHFFFAOYSA-N

Compound name

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]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]+	452.18926	207.1
[M+Na]+	474.17120	214.8
[M-H]-	450.17470	212.1
[M+NH4]+	469.21580	213.8
[M+K]+	490.14514	207.6
[M+H-H2O]+	434.17924	193.4
[M+HCOO]-	496.18018	225.5
[M+CH3COO]-	510.19583	214.8
[M+Na-2H]-	472.15665	208.0
[M]+	451.18143	208.9
[M]-	451.18253	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.18926

207.1

[M+Na]+

474.17120

214.8

[M-H]-

450.17470

212.1

[M+NH4]+

469.21580

213.8

[M+K]+

490.14514

207.6

[M+H-H2O]+

434.17924

193.4

[M+HCOO]-

496.18018

225.5

[M+CH3COO]-

510.19583

214.8

[M+Na-2H]-

472.15665

208.0

[M]+

451.18143

208.9

[M]-

451.18253

208.9

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

Schembl4804663

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe