CID 3060097

77711-71-8

Structural Information

Molecular Formula
C20H16ClNOS
SMILES
CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClNOS/c1-22(20(23)15-7-9-16(21)10-8-15)17-11-13-19(14-12-17)24-18-5-3-2-4-6-18/h2-14H,1H3
InChIKey
BLPXCMVMGXLNJR-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06412 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07140 180.8
[M+Na]+ 376.05334 188.3
[M-H]- 352.05684 191.7
[M+NH4]+ 371.09794 195.0
[M+K]+ 392.02728 181.8
[M+H-H2O]+ 336.06138 172.4
[M+HCOO]- 398.06232 195.7
[M+CH3COO]- 412.07797 191.8
[M+Na-2H]- 374.03879 182.3
[M]+ 353.06357 185.2
[M]- 353.06467 185.2
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.