CID 62668191

N-(2-carbamothioyl-2-methylethyl)benzamide

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CC(CNC(=O)C1=CC=CC=C1)C(=S)N
InChI
InChI=1S/C11H14N2OS/c1-8(10(12)15)7-13-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKey
FGUSZLUIPDHTSM-UHFFFAOYSA-N
Compound name
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 150.5
[M+Na]+ 245.071908 155.1
[M-H]- 221.075414 153.2
[M+NH4]+ 240.116513 168.0
[M+K]+ 261.045848 151.8
[M+H-H2O]+ 205.079950 143.6
[M+HCOO]- 267.080891 167.7
[M+CH3COO]- 281.096541 192.5
[M+Na-2H]- 243.057356 150.7
[M]+ 222.08214142 148.7
[M]- 222.08323858 148.7
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.