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]+ 223.08997 150.5
[M+Na]+ 245.07191 155.1
[M-H]- 221.07541 153.2
[M+NH4]+ 240.11651 168.0
[M+K]+ 261.04585 151.8
[M+H-H2O]+ 205.07995 143.6
[M+HCOO]- 267.08089 167.7
[M+CH3COO]- 281.09654 192.5
[M+Na-2H]- 243.05736 150.7
[M]+ 222.08214 148.7
[M]- 222.08324 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.