CID 9948363

Chembl577062

Structural Information

Molecular Formula
C15H11F2N3O2
SMILES
C1=CC(=C(C=C1F)F)CN2C=CC3=CC(=NC=C32)C(=O)NO
InChI
InChI=1S/C15H11F2N3O2/c16-11-2-1-10(12(17)6-11)8-20-4-3-9-5-13(15(21)19-22)18-7-14(9)20/h1-7,22H,8H2,(H,19,21)
InChIKey
GBDSVYWUZNYVHK-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

303.08194 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08922 164.5
[M+Na]+ 326.07116 175.3
[M-H]- 302.07466 167.0
[M+NH4]+ 321.11576 179.0
[M+K]+ 342.04510 169.3
[M+H-H2O]+ 286.07920 154.3
[M+HCOO]- 348.08014 184.9
[M+CH3COO]- 362.09579 175.9
[M+Na-2H]- 324.05661 168.3
[M]+ 303.08139 164.5
[M]- 303.08249 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe