CID 979718

4-chloro-n-[2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

Structural Information

Molecular Formula
C18H12ClN3OS
SMILES
C1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4
InChI
InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
InChIKey
AZKMWHRDICVYEI-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

8
Patents

353.03897 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.04625 180.6
[M+Na]+ 376.02819 192.5
[M-H]- 352.03169 190.6
[M+NH4]+ 371.07279 197.0
[M+K]+ 392.00213 185.2
[M+H-H2O]+ 336.03623 173.1
[M+HCOO]- 398.03717 196.3
[M+CH3COO]- 412.05282 192.7
[M+Na-2H]- 374.01364 181.4
[M]+ 353.03842 187.0
[M]- 353.03952 187.0
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