CID 5273734

Chembl182462

Structural Information

Molecular Formula
C24H24N2O5S
SMILES
COC1=CC(=CC=C1)OC2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4=NC=C(S4)C(=O)O
InChI
InChI=1S/C24H24N2O5S/c1-30-19-8-5-9-20(14-19)31-18-12-10-16(11-13-18)22(27)26(17-6-3-2-4-7-17)24-25-15-21(32-24)23(28)29/h5,8-15,17H,2-4,6-7H2,1H3,(H,28,29)
InChIKey
YVPNQEKJMAYRRK-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-[4-(3-methoxyphenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.1406 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.14788 205.3
[M+Na]+ 475.12982 207.6
[M-H]- 451.13332 215.8
[M+NH4]+ 470.17442 213.1
[M+K]+ 491.10376 204.4
[M+H-H2O]+ 435.13786 195.3
[M+HCOO]- 497.13880 218.5
[M+CH3COO]- 511.15445 230.1
[M+Na-2H]- 473.11527 201.5
[M]+ 452.14005 206.3
[M]- 452.14115 206.3
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

No patent data available for this compound.