CID 5273720

Chembl2092825

Structural Information

Molecular Formula
C24H24N2O4S
SMILES
CC1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O4S/c1-16-7-11-18(12-8-16)26(24-25-15-21(31-24)23(28)29)22(27)17-9-13-20(14-10-17)30-19-5-3-2-4-6-19/h2-6,9-10,13-16,18H,7-8,11-12H2,1H3,(H,28,29)
InChIKey
PKOUUSHOZUUTDT-UHFFFAOYSA-N
Compound name
2-[(4-methylcyclohexyl)-(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1457 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15298 202.8
[M+Na]+ 459.13492 205.5
[M-H]- 435.13842 213.4
[M+NH4]+ 454.17952 211.5
[M+K]+ 475.10886 201.5
[M+H-H2O]+ 419.14296 192.9
[M+HCOO]- 481.14390 215.9
[M+CH3COO]- 495.15955 228.0
[M+Na-2H]- 457.12037 198.7
[M]+ 436.14515 202.5
[M]- 436.14625 202.5
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.