CID 16227778

929975-66-6

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
C1=CC2=NC(=CN2C=C1)CSC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2S/c18-15(19)11-4-6-13(7-5-11)20-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2,(H,18,19)
InChIKey
MIJFWPPINOKNBT-UHFFFAOYSA-N
Compound name
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.069226 162.2
[M+Na]+ 307.051168 172.7
[M-H]- 283.054674 167.0
[M+NH4]+ 302.095773 178.2
[M+K]+ 323.025108 167.0
[M+H-H2O]+ 267.059210 154.8
[M+HCOO]- 329.060151 179.0
[M+CH3COO]- 343.075801 174.2
[M+Na-2H]- 305.036616 165.4
[M]+ 284.06140142 166.7
[M]- 284.06249858 166.7
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.