CID 6335854

Omega-(p-nitrophenyl)-alpha-acetamidrazonium thiosulfate

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C1=CC(=CC=C1C/C(=N/N)/N)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O2/c9-8(11-10)5-6-1-3-7(4-2-6)12(13)14/h1-4H,5,10H2,(H2,9,11)
InChIKey
BDYOKOCHFIJGCR-UHFFFAOYSA-N
Compound name
N'-amino-2-(4-nitrophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 138.7
[M+Na]+ 217.06959 148.6
[M+NH4]+ 212.11419 145.9
[M+K]+ 233.04353 146.6
[M-H]- 193.07309 143.0
[M+Na-2H]- 215.05504 144.4
[M]+ 194.07982 140.8
[M]- 194.08092 140.8
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

No patent data available for this compound.