CID 61121890

N-(1-carbamothioylbutyl)benzamide

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CCCC(C(=S)N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H16N2OS/c1-2-6-10(11(13)16)14-12(15)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,13,16)(H,14,15)
InChIKey
BPCHAJADWLDUTN-UHFFFAOYSA-N
Compound name
N-(1-amino-1-sulfanylidenepentan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 154.4
[M+Na]+ 259.08755 162.7
[M+NH4]+ 254.13215 161.7
[M+K]+ 275.06149 155.8
[M-H]- 235.09105 156.4
[M+Na-2H]- 257.07300 158.8
[M]+ 236.09778 156.3
[M]- 236.09888 156.3
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.