CID 12150564

5-amino-1-(2-nitrophenyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C10H9N5O3
SMILES
C1=CC=C(C(=C1)N2C(=C(C=N2)C(=O)N)N)[N+](=O)[O-]
InChI
InChI=1S/C10H9N5O3/c11-9-6(10(12)16)5-13-14(9)7-3-1-2-4-8(7)15(17)18/h1-5H,11H2,(H2,12,16)
InChIKey
GZHBTVHPOBBMAU-UHFFFAOYSA-N
Compound name
5-amino-1-(2-nitrophenyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

247.07054 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.077816 148.7
[M+Na]+ 270.059758 155.8
[M-H]- 246.063264 153.1
[M+NH4]+ 265.104363 162.9
[M+K]+ 286.033698 148.8
[M+H-H2O]+ 230.067800 144.6
[M+HCOO]- 292.068741 173.8
[M+CH3COO]- 306.084391 190.4
[M+Na-2H]- 268.045206 154.3
[M]+ 247.06999142 144.4
[M]- 247.07108858 144.4
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