CID 3043267

N-(4-benzylthiobenzyl)acetamide

Structural Information

Molecular Formula
C16H17NOS
SMILES
CC(=O)NCC1=CC=C(C=C1)SCC2=CC=CC=C2
InChI
InChI=1S/C16H17NOS/c1-13(18)17-11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey
DNHNEOLFEHLTEE-UHFFFAOYSA-N
Compound name
N-[(4-benzylsulfanylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11038 162.0
[M+Na]+ 294.09232 175.3
[M+NH4]+ 289.13692 171.2
[M+K]+ 310.06626 164.9
[M-H]- 270.09582 167.6
[M+Na-2H]- 292.07777 171.1
[M]+ 271.10255 166.0
[M]- 271.10365 166.0
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.