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]+ 308.050646 166.4
[M+Na]+ 330.032588 175.2
[M-H]- 306.036094 173.7
[M+NH4]+ 325.077193 182.8
[M+K]+ 346.006528 169.5
[M+H-H2O]+ 290.040630 159.9
[M+HCOO]- 352.041571 181.4
[M+CH3COO]- 366.057221 204.1
[M+Na-2H]- 328.018036 168.0
[M]+ 307.04282142 172.2
[M]- 307.04391858 172.2
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.