CID 25524458

N-(4-carbamothioylphenyl)propanamide

Structural Information

Molecular Formula
C10H12N2OS
SMILES
CCC(=O)NC1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C10H12N2OS/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h3-6H,2H2,1H3,(H2,11,14)(H,12,13)
InChIKey
SPBXADDLMDSLGW-UHFFFAOYSA-N
Compound name
N-(4-carbamothioylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 145.3
[M+Na]+ 231.056248 151.6
[M-H]- 207.059754 148.5
[M+NH4]+ 226.100853 163.7
[M+K]+ 247.030188 147.9
[M+H-H2O]+ 191.064290 138.8
[M+HCOO]- 253.065231 163.9
[M+CH3COO]- 267.080881 189.7
[M+Na-2H]- 229.041696 146.4
[M]+ 208.06648142 144.2
[M]- 208.06757858 144.2
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.