CID 847891

2-chloro-n-(4-methoxyphenyl)-5-(methylthio)benzamide

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl
InChI
InChI=1S/C15H14ClNO2S/c1-19-11-5-3-10(4-6-11)17-15(18)13-9-12(20-2)7-8-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKey
COEWQBRICAYYHY-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

307.04337 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05065 167.9
[M+Na]+ 330.03259 182.4
[M+NH4]+ 325.07719 176.9
[M+K]+ 346.00653 172.2
[M-H]- 306.03609 173.1
[M+Na-2H]- 328.01804 176.3
[M]+ 307.04282 172.3
[M]- 307.04392 172.3
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.