CID 224661

2-(carbamoylthio)-acetic acid 2-phenylhydrazide

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
C1=CC=C(C=C1)NNC(=O)CSC(=O)N
InChI
InChI=1S/C9H11N3O2S/c10-9(14)15-6-8(13)12-11-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,10,14)(H,12,13)
InChIKey
CYOGPHNZOQBASR-UHFFFAOYSA-N
Compound name
S-[2-oxo-2-(2-phenylhydrazinyl)ethyl] carbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

225.0572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.064476 147.3
[M+Na]+ 248.046418 152.0
[M-H]- 224.049924 150.0
[M+NH4]+ 243.091023 164.2
[M+K]+ 264.020358 149.1
[M+H-H2O]+ 208.054460 139.9
[M+HCOO]- 270.055401 167.4
[M+CH3COO]- 284.071051 192.2
[M+Na-2H]- 246.031866 150.3
[M]+ 225.05665142 145.9
[M]- 225.05774858 145.9
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

patents stripe