CID 5273723

Chembl183281

Structural Information

Molecular Formula
C23H22N2O4S
SMILES
C1CCC(CC1)N(C2=NC(=CS2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C23H22N2O4S/c26-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)25(17-7-3-1-4-8-17)23-24-20(15-30-23)22(27)28/h2,5-6,9-15,17H,1,3-4,7-8H2,(H,27,28)
InChIKey
GSWQBAFNNQTADU-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-(4-phenoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.13004 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13732 198.2
[M+Na]+ 445.11926 200.6
[M-H]- 421.12276 208.7
[M+NH4]+ 440.16386 207.2
[M+K]+ 461.09320 196.7
[M+H-H2O]+ 405.12730 188.4
[M+HCOO]- 467.12824 211.7
[M+CH3COO]- 481.14389 206.0
[M+Na-2H]- 443.10471 195.2
[M]+ 422.12949 197.2
[M]- 422.13059 197.2
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.