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]+ 209.07431 145.3
[M+Na]+ 231.05625 151.6
[M-H]- 207.05975 148.5
[M+NH4]+ 226.10085 163.7
[M+K]+ 247.03019 147.9
[M+H-H2O]+ 191.06429 138.8
[M+HCOO]- 253.06523 163.9
[M+CH3COO]- 267.08088 189.7
[M+Na-2H]- 229.04170 146.4
[M]+ 208.06648 144.2
[M]- 208.06758 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.