CID 15050595

N-(3-carbamothioylphenyl)acetamide

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC(=O)NC1=CC=CC(=C1)C(=S)N
InChI
InChI=1S/C9H10N2OS/c1-6(12)11-8-4-2-3-7(5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKey
BAKXWEATJHSISZ-UHFFFAOYSA-N
Compound name
N-(3-carbamothioylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 140.9
[M+Na]+ 217.04061 147.6
[M-H]- 193.04411 144.2
[M+NH4]+ 212.08521 159.9
[M+K]+ 233.01455 144.2
[M+H-H2O]+ 177.04865 134.5
[M+HCOO]- 239.04959 159.8
[M+CH3COO]- 253.06524 186.7
[M+Na-2H]- 215.02606 142.5
[M]+ 194.05084 139.4
[M]- 194.05194 139.4
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.