CID 461748

180034-56-4

Structural Information

Molecular Formula
C19H20ClNO3S
SMILES
CC1=C(C=CS1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3
InChI
InChI=1S/C19H20ClNO3S/c1-12-15(9-10-25-12)18(22)21-13-7-8-17(20)16(11-13)19(23)24-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,21,22)
InChIKey
XPRLPWQIFFKISW-UHFFFAOYSA-N
Compound name
cyclohexyl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.08524 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09252 188.6
[M+Na]+ 400.07446 193.9
[M-H]- 376.07796 198.0
[M+NH4]+ 395.11906 203.2
[M+K]+ 416.04840 188.4
[M+H-H2O]+ 360.08250 181.8
[M+HCOO]- 422.08344 199.7
[M+CH3COO]- 436.09909 214.3
[M+Na-2H]- 398.05991 184.6
[M]+ 377.08469 190.3
[M]- 377.08579 190.3
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.