CID 5275169

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

Structural Information

Molecular Formula
C21H17ClN2O3S
SMILES
CC1=CC(=C(C=C1)C2=CC=CC=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Cl
InChI
InChI=1S/C21H17ClN2O3S/c1-14-10-11-15(17(22)12-14)16-6-2-5-9-20(16)28-13-21(25)23-18-7-3-4-8-19(18)24(26)27/h2-12H,13H2,1H3,(H,23,25)
InChIKey
OCJOZMSNBZUPQR-UHFFFAOYSA-N
Compound name
2-[2-(2-chloro-4-methylphenyl)phenyl]sulfanyl-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.06485 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07213 195.3
[M+Na]+ 435.05407 200.7
[M-H]- 411.05757 204.5
[M+NH4]+ 430.09867 205.3
[M+K]+ 451.02801 189.5
[M+H-H2O]+ 395.06211 190.9
[M+HCOO]- 457.06305 209.9
[M+CH3COO]- 471.07870 218.2
[M+Na-2H]- 433.03952 197.0
[M]+ 412.06430 197.7
[M]- 412.06540 197.7
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.