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
1
Annotation Hits

0
References

20
Patents

225.0572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 147.3
[M+Na]+ 248.04642 152.0
[M-H]- 224.04992 150.0
[M+NH4]+ 243.09102 164.2
[M+K]+ 264.02036 149.1
[M+H-H2O]+ 208.05446 139.9
[M+HCOO]- 270.05540 167.4
[M+CH3COO]- 284.07105 192.2
[M+Na-2H]- 246.03187 150.3
[M]+ 225.05665 145.9
[M]- 225.05775 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