CID 71695385

2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C13H11NO2S
SMILES
C1CC1C2=NC(=C(S2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C13H11NO2S/c15-13(16)11-10(8-4-2-1-3-5-8)14-12(17-11)9-6-7-9/h1-5,9H,6-7H2,(H,15,16)
InChIKey
LTEWOOZGTYKUIH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.05106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 157.1
[M+Na]+ 268.04028 171.0
[M+NH4]+ 263.08488 166.2
[M+K]+ 284.01422 165.7
[M-H]- 244.04378 167.9
[M+Na-2H]- 266.02573 166.7
[M]+ 245.05051 163.6
[M]- 245.05161 163.6
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