CID 13259025

Imidazo(1,2-a)pyridine-3-acetic acid, 2-(5-chloro-2-thienyl)-6-methyl-

Structural Information

Molecular Formula
C14H11ClN2O2S
SMILES
CC1=CN2C(=NC(=C2CC(=O)O)C3=CC=C(S3)Cl)C=C1
InChI
InChI=1S/C14H11ClN2O2S/c1-8-2-5-12-16-14(10-3-4-11(15)20-10)9(6-13(18)19)17(12)7-8/h2-5,7H,6H2,1H3,(H,18,19)
InChIKey
CJUBNCNGKFOZOQ-UHFFFAOYSA-N
Compound name
2-[2-(5-chlorothiophen-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.02298 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03026 167.6
[M+Na]+ 329.01220 180.8
[M-H]- 305.01570 173.6
[M+NH4]+ 324.05680 186.2
[M+K]+ 344.98614 174.7
[M+H-H2O]+ 289.02024 162.2
[M+HCOO]- 351.02118 180.9
[M+CH3COO]- 365.03683 180.5
[M+Na-2H]- 326.99765 166.5
[M]+ 306.02243 175.6
[M]- 306.02353 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.