CID 5273748

Chembl369127

Structural Information

Molecular Formula
C25H26N2O5S
SMILES
COC1=CC=CC(=C1)COC2=CC=C(C=C2)C(=O)N(C3CCCCC3)C4=NC=C(S4)C(=O)O
InChI
InChI=1S/C25H26N2O5S/c1-31-21-9-5-6-17(14-21)16-32-20-12-10-18(11-13-20)23(28)27(19-7-3-2-4-8-19)25-26-15-22(33-25)24(29)30/h5-6,9-15,19H,2-4,7-8,16H2,1H3,(H,29,30)
InChIKey
WIPBMVBKFVBEFF-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-[4-[(3-methoxyphenyl)methoxy]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.15625 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.16353 209.4
[M+Na]+ 489.14547 211.2
[M-H]- 465.14897 219.8
[M+NH4]+ 484.19007 216.7
[M+K]+ 505.11941 207.9
[M+H-H2O]+ 449.15351 199.2
[M+HCOO]- 511.15445 222.3
[M+CH3COO]- 525.17010 232.9
[M+Na-2H]- 487.13092 205.2
[M]+ 466.15570 210.7
[M]- 466.15680 210.7
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.