CID 6863155

N'-(4-nitrobenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H12N6O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N6O5/c24-17(21-18-10-11-4-6-13(7-5-11)22(25)26)16-9-15(19-20-16)12-2-1-3-14(8-12)23(27)28/h1-10H,(H,19,20)(H,21,24)/b18-10+
InChIKey
IGTVGACENWNOCZ-VCHYOVAHSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0869 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.094176 181.4
[M+Na]+ 403.076118 183.6
[M-H]- 379.079624 188.8
[M+NH4]+ 398.120723 188.2
[M+K]+ 419.050058 171.3
[M+H-H2O]+ 363.084160 179.0
[M+HCOO]- 425.085101 206.3
[M+CH3COO]- 439.100751 208.1
[M+Na-2H]- 401.061566 190.3
[M]+ 380.08635142 175.9
[M]- 380.08744858 175.9
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.