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]+ 285.06923 162.2
[M+Na]+ 307.05117 172.7
[M-H]- 283.05467 167.0
[M+NH4]+ 302.09577 178.2
[M+K]+ 323.02511 167.0
[M+H-H2O]+ 267.05921 154.8
[M+HCOO]- 329.06015 179.0
[M+CH3COO]- 343.07580 174.2
[M+Na-2H]- 305.03662 165.4
[M]+ 284.06140 166.7
[M]- 284.06250 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.