CID 54595848

N-[carbamothioyl(cyclopropyl)methyl]benzamide

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CC1C(C(=S)N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2OS/c13-11(16)10(8-6-7-8)14-12(15)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,13,16)(H,14,15)
InChIKey
QXZWMAIADKSTTR-UHFFFAOYSA-N
Compound name
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.089966 143.6
[M+Na]+ 257.071908 149.6
[M-H]- 233.075414 150.1
[M+NH4]+ 252.116513 155.8
[M+K]+ 273.045848 145.3
[M+H-H2O]+ 217.079950 136.5
[M+HCOO]- 279.080891 161.7
[M+CH3COO]- 293.096541 196.7
[M+Na-2H]- 255.057356 145.0
[M]+ 234.08214142 143.7
[M]- 234.08323858 143.7
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.