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

26
Patents

247.07054 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07782 148.7
[M+Na]+ 270.05976 155.8
[M-H]- 246.06326 153.1
[M+NH4]+ 265.10436 162.9
[M+K]+ 286.03370 148.8
[M+H-H2O]+ 230.06780 144.6
[M+HCOO]- 292.06874 173.8
[M+CH3COO]- 306.08439 190.4
[M+Na-2H]- 268.04521 154.3
[M]+ 247.06999 144.4
[M]- 247.07109 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