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 167.7
[M+Na]+ 384.99807 176.8
[M-H]- 361.00157 176.5
[M+NH4]+ 380.04267 184.0
[M+K]+ 400.97201 162.8
[M+H-H2O]+ 345.00611 165.5
[M+HCOO]- 407.00705 184.4
[M+CH3COO]- 421.02270 212.3
[M+Na-2H]- 382.98352 170.9
[M]+ 362.00830 186.1
[M]- 362.00940 186.1
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

No patent data available for this compound.