CID 853886

1-acetyl-3-phenyl-2-thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

194.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 141.2
[M+Na]+ 217.040608 147.2
[M-H]- 193.044114 144.9
[M+NH4]+ 212.085213 160.4
[M+K]+ 233.014548 144.2
[M+H-H2O]+ 177.048650 134.7
[M+HCOO]- 239.049591 160.9
[M+CH3COO]- 253.065241 184.8
[M+Na-2H]- 215.026056 144.5
[M]+ 194.05084142 140.2
[M]- 194.05193858 140.2
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