CID 5273739

Chembl361207

Structural Information

Molecular Formula
C24H24N2O4S
SMILES
C1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O4S/c27-22(18-11-13-20(14-12-18)30-16-17-7-3-1-4-8-17)26(19-9-5-2-6-10-19)24-25-15-21(31-24)23(28)29/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,28,29)
InChIKey
ALJFNLOLOWIRHP-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-(4-phenylmethoxybenzoyl)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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15298 202.4
[M+Na]+ 459.13492 204.2
[M-H]- 435.13842 212.6
[M+NH4]+ 454.17952 210.8
[M+K]+ 475.10886 200.2
[M+H-H2O]+ 419.14296 192.3
[M+HCOO]- 481.14390 215.5
[M+CH3COO]- 495.15955 226.7
[M+Na-2H]- 457.12037 198.9
[M]+ 436.14515 201.6
[M]- 436.14625 201.6
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.