CID 5275168

2-[2-(2-chloro-4-methyl-phenyl)phenyl]sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C21H17Cl2NOS
SMILES
CC1=CC(=C(C=C1)C2=CC=CC=C2SCC(=O)NC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C21H17Cl2NOS/c1-14-10-11-15(18(23)12-14)16-6-2-5-9-20(16)26-13-21(25)24-19-8-4-3-7-17(19)22/h2-12H,13H2,1H3,(H,24,25)
InChIKey
IQATWAKALGPIRR-UHFFFAOYSA-N
Compound name
2-[2-(2-chloro-4-methylphenyl)phenyl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.0408 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.04808 190.0
[M+Na]+ 424.03002 199.0
[M-H]- 400.03352 199.3
[M+NH4]+ 419.07462 202.9
[M+K]+ 440.00396 190.1
[M+H-H2O]+ 384.03806 182.8
[M+HCOO]- 446.03900 199.2
[M+CH3COO]- 460.05465 200.1
[M+Na-2H]- 422.01547 189.7
[M]+ 401.04025 195.8
[M]- 401.04135 195.8
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.