CID 5275159

Schembl1702974

Structural Information

Molecular Formula
C24H18ClNOS
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3SCC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C24H18ClNOS/c25-21-13-4-5-14-22(21)26-24(27)16-28-23-15-6-3-11-20(23)19-12-7-9-17-8-1-2-10-18(17)19/h1-15H,16H2,(H,26,27)
InChIKey
JBBJSSWVLNAPGE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(2-naphthalen-1-ylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.07977 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08705 193.3
[M+Na]+ 426.06899 201.2
[M-H]- 402.07249 203.3
[M+NH4]+ 421.11359 205.9
[M+K]+ 442.04293 192.4
[M+H-H2O]+ 386.07703 184.6
[M+HCOO]- 448.07797 206.3
[M+CH3COO]- 462.09362 203.0
[M+Na-2H]- 424.05444 196.3
[M]+ 403.07922 197.1
[M]- 403.08032 197.1
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

patents stripe