CID 135850407

Dtxsid401340362

Structural Information

Molecular Formula
C10H9N5O4
SMILES
CC1=C(C(=O)NN1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C10H9N5O4/c1-5-9(10(17)14-11-5)13-12-7-3-2-6(15(18)19)4-8(7)16/h2-4,16H,1H3,(H2,11,14,17)
InChIKey
UBHXEBULYUUOHN-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.06546 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07274 151.0
[M+Na]+ 286.05468 159.0
[M-H]- 262.05818 155.4
[M+NH4]+ 281.09928 164.7
[M+K]+ 302.02862 151.2
[M+H-H2O]+ 246.06272 147.2
[M+HCOO]- 308.06366 177.1
[M+CH3COO]- 322.07931 190.3
[M+Na-2H]- 284.04013 158.9
[M]+ 263.06491 148.5
[M]- 263.06601 148.5
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