CID 13259022

88570-79-0

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CC1=CN2C(=NC(=C2CC(=O)O)C3=CC=C(S3)C)C=C1
InChI
InChI=1S/C15H14N2O2S/c1-9-3-6-13-16-15(12-5-4-10(2)20-12)11(7-14(18)19)17(13)8-9/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKey
XOCFCRHNRQRTMB-UHFFFAOYSA-N
Compound name
2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.0776 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 164.9
[M+Na]+ 309.06682 177.1
[M-H]- 285.07032 170.9
[M+NH4]+ 304.11142 183.5
[M+K]+ 325.04076 172.2
[M+H-H2O]+ 269.07486 159.0
[M+HCOO]- 331.07580 182.6
[M+CH3COO]- 345.09145 178.0
[M+Na-2H]- 307.05227 163.9
[M]+ 286.07705 171.4
[M]- 286.07815 171.4
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

patents stripe