CID 4560101

321945-88-4

Structural Information

Molecular Formula
C18H14ClNOS
SMILES
C1=CC=C2C=C(C=CC2=C1)SCC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClNOS/c19-15-6-8-16(9-7-15)20-18(21)12-22-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,20,21)
InChIKey
BQEDMIWGPBWXJP-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.04846 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05574 172.1
[M+Na]+ 350.03768 188.3
[M+NH4]+ 345.08228 182.5
[M+K]+ 366.01162 176.1
[M-H]- 326.04118 178.9
[M+Na-2H]- 348.02313 182.2
[M]+ 327.04791 177.4
[M]- 327.04901 177.4
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.