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]+ 381.09418 181.4
[M+Na]+ 403.07612 183.6
[M-H]- 379.07962 188.8
[M+NH4]+ 398.12072 188.2
[M+K]+ 419.05006 171.3
[M+H-H2O]+ 363.08416 179.0
[M+HCOO]- 425.08510 206.3
[M+CH3COO]- 439.10075 208.1
[M+Na-2H]- 401.06157 190.3
[M]+ 380.08635 175.9
[M]- 380.08745 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.