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 171.4
[M+Na]+ 350.03768 179.7
[M-H]- 326.04118 178.8
[M+NH4]+ 345.08228 187.5
[M+K]+ 366.01162 172.3
[M+H-H2O]+ 310.04572 164.5
[M+HCOO]- 372.04666 185.1
[M+CH3COO]- 386.06231 182.6
[M+Na-2H]- 348.02313 175.6
[M]+ 327.04791 175.4
[M]- 327.04901 175.4
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.