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]+ 235.08997 143.6
[M+Na]+ 257.07191 149.6
[M-H]- 233.07541 150.1
[M+NH4]+ 252.11651 155.8
[M+K]+ 273.04585 145.3
[M+H-H2O]+ 217.07995 136.5
[M+HCOO]- 279.08089 161.7
[M+CH3COO]- 293.09654 196.7
[M+Na-2H]- 255.05736 145.0
[M]+ 234.08214 143.7
[M]- 234.08324 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.