CID 5273736

Chembl361161

Structural Information

Molecular Formula
C23H20Cl2N2O4S
SMILES
C1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H20Cl2N2O4S/c24-18-11-10-17(12-19(18)25)31-16-8-6-14(7-9-16)21(28)27(15-4-2-1-3-5-15)23-26-13-20(32-23)22(29)30/h6-13,15H,1-5H2,(H,29,30)
InChIKey
ZJWHRYRKEJQLRN-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-[4-(3,4-dichlorophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.0521 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.05938 209.1
[M+Na]+ 513.04132 214.2
[M-H]- 489.04482 219.7
[M+NH4]+ 508.08592 217.6
[M+K]+ 529.01526 208.6
[M+H-H2O]+ 473.04936 201.0
[M+HCOO]- 535.05030 213.3
[M+CH3COO]- 549.06595 216.6
[M+Na-2H]- 511.02677 204.1
[M]+ 490.05155 213.1
[M]- 490.05265 213.1
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.