CID 854364

N-(benzylcarbamothioyl)-2-methylbenzamide

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C16H16N2OS/c1-12-7-5-6-10-14(12)15(19)18-16(20)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
InChIKey
OFJIRGSYJFNHRJ-UHFFFAOYSA-N
Compound name
N-(benzylcarbamothioyl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

284.09833 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 165.6
[M+Na]+ 307.08755 170.9
[M-H]- 283.09105 171.9
[M+NH4]+ 302.13215 181.0
[M+K]+ 323.06149 165.6
[M+H-H2O]+ 267.09559 157.6
[M+HCOO]- 329.09653 184.6
[M+CH3COO]- 343.11218 202.8
[M+Na-2H]- 305.07300 167.7
[M]+ 284.09778 165.0
[M]- 284.09888 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe