CID 2596651

2-chloro-n-(2,5-dimethylphenyl)-5-(methylthio)benzamide

Structural Information

Molecular Formula
C16H16ClNOS
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=CC(=C2)SC)Cl
InChI
InChI=1S/C16H16ClNOS/c1-10-4-5-11(2)15(8-10)18-16(19)13-9-12(20-3)6-7-14(13)17/h4-9H,1-3H3,(H,18,19)
InChIKey
LFEBMTRWSUYTDF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,5-dimethylphenyl)-5-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06412 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07140 169.6
[M+Na]+ 328.05334 184.8
[M+NH4]+ 323.09794 179.0
[M+K]+ 344.02728 174.0
[M-H]- 304.05684 175.3
[M+Na-2H]- 326.03879 178.0
[M]+ 305.06357 174.4
[M]- 305.06467 174.4
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.