CID 23279229

4-carbamothioylbenzamide

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1=CC(=CC=C1C(=O)N)C(=S)N
InChI
InChI=1S/C8H8N2OS/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChIKey
SFZWPDVFJRWAAO-UHFFFAOYSA-N
Compound name
4-carbamothioylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

180.03574 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 136.9
[M+Na]+ 203.02496 146.5
[M+NH4]+ 198.06956 144.8
[M+K]+ 218.99890 140.1
[M-H]- 179.02846 139.2
[M+Na-2H]- 201.01041 141.9
[M]+ 180.03519 139.0
[M]- 180.03629 139.0
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