CID 3000565

N-(4-carbamothioylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

194.05139 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe