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]+ 195.058666 140.9
[M+Na]+ 217.040608 147.6
[M-H]- 193.044114 144.2
[M+NH4]+ 212.085213 159.9
[M+K]+ 233.014548 144.2
[M+H-H2O]+ 177.048650 134.5
[M+HCOO]- 239.049591 159.8
[M+CH3COO]- 253.065241 186.7
[M+Na-2H]- 215.026056 142.5
[M]+ 194.05084142 139.4
[M]- 194.05193858 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.