CID 5273737

Chembl361418

Structural Information

Molecular Formula
C25H26N2O6S
SMILES
COC1=C(C=C(C=C1)OC2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4=NC=C(S4)C(=O)O)OC
InChI
InChI=1S/C25H26N2O6S/c1-31-20-13-12-19(14-21(20)32-2)33-18-10-8-16(9-11-18)23(28)27(17-6-4-3-5-7-17)25-26-15-22(34-25)24(29)30/h8-15,17H,3-7H2,1-2H3,(H,29,30)
InChIKey
GKCOMLUKQMOIPM-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-[4-(3,4-dimethoxyphenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.15115 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15843 212.1
[M+Na]+ 505.14037 214.3
[M-H]- 481.14387 222.7
[M+NH4]+ 500.18497 218.8
[M+K]+ 521.11431 211.9
[M+H-H2O]+ 465.14841 201.9
[M+HCOO]- 527.14935 225.1
[M+CH3COO]- 541.16500 236.4
[M+Na-2H]- 503.12582 207.6
[M]+ 482.15060 215.2
[M]- 482.15170 215.2
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.