CID 1955694

2-[4-(4-methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)CC(=O)O
InChI
InChI=1S/C17H14N2O2S/c1-11-4-6-12(7-5-11)16-14(9-15(20)21)22-17(19-16)13-3-2-8-18-10-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKey
HPGOPLQHCDPWKE-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

310.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 170.7
[M+Na]+ 333.06682 185.3
[M+NH4]+ 328.11142 178.5
[M+K]+ 349.04076 177.9
[M-H]- 309.07032 175.4
[M+Na-2H]- 331.05227 179.6
[M]+ 310.07705 174.6
[M]- 310.07815 174.6
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

No patent data available for this compound.