CID 6335854

Alpha-acetamidrazonium, omega-(p-nitrophenyl)-, 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]+ 195.087646 136.9
[M+Na]+ 217.069588 142.2
[M-H]- 193.073094 141.0
[M+NH4]+ 212.114193 154.5
[M+K]+ 233.043528 136.8
[M+H-H2O]+ 177.077630 134.4
[M+HCOO]- 239.078571 165.3
[M+CH3COO]- 253.094221 185.6
[M+Na-2H]- 215.055036 144.0
[M]+ 194.07982142 131.8
[M]- 194.08091858 131.8
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.