CID 980653

1-(benzylcarbamothioyl)-n-(4-bromo-3-methylphenyl)formamide

Structural Information

Molecular Formula
C16H15BrN2OS
SMILES
CC1=C(C=CC(=C1)NC(=O)C(=S)NCC2=CC=CC=C2)Br
InChI
InChI=1S/C16H15BrN2OS/c1-11-9-13(7-8-14(11)17)19-15(20)16(21)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKey
MGXVOBSAAVASIC-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.00885 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01613 160.8
[M+Na]+ 384.99807 163.5
[M+NH4]+ 380.04267 165.4
[M+K]+ 400.97201 161.6
[M-H]- 361.00157 164.2
[M+Na-2H]- 382.98352 166.2
[M]+ 362.00830 161.3
[M]- 362.00940 161.3
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.