CID 54593848

N-(1-carbamothioyl-1-methylethyl)benzamide

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CC(C)(C(=S)N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14N2OS/c1-11(2,10(12)15)13-9(14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,15)(H,13,14)
InChIKey
WSVPANCBAHVFHN-UHFFFAOYSA-N
Compound name
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 151.0
[M+Na]+ 245.07191 159.6
[M+NH4]+ 240.11651 158.4
[M+K]+ 261.04585 153.3
[M-H]- 221.07541 152.7
[M+Na-2H]- 243.05736 155.9
[M]+ 222.08214 152.9
[M]- 222.08324 152.9
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.