CID 2763923

2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid

Structural Information

Molecular Formula
C17H13NO2S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKey
WNGOHXAHAKLKAR-UHFFFAOYSA-N
Compound name
2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

295.0667 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07398 166.9
[M+Na]+ 318.05592 175.4
[M-H]- 294.05942 174.8
[M+NH4]+ 313.10052 182.3
[M+K]+ 334.02986 169.6
[M+H-H2O]+ 278.06396 159.1
[M+HCOO]- 340.06490 184.5
[M+CH3COO]- 354.08055 178.6
[M+Na-2H]- 316.04137 167.3
[M]+ 295.06615 168.7
[M]- 295.06725 168.7
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

patents stripe