CID 6888445

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

Structural Information

Molecular Formula
C17H12N6O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N6O5/c24-17(21-18-10-11-3-1-5-13(7-11)22(25)26)16-9-15(19-20-16)12-4-2-6-14(8-12)23(27)28/h1-10H,(H,19,20)(H,21,24)/b18-10+
InChIKey
MZGGZCIIMIXDPV-VCHYOVAHSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-(3-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]+ 381.09418 184.3
[M+Na]+ 403.07612 196.1
[M+NH4]+ 398.12072 188.6
[M+K]+ 419.05006 197.8
[M-H]- 379.07962 190.6
[M+Na-2H]- 401.06157 191.5
[M]+ 380.08635 187.1
[M]- 380.08745 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.