CID 9656102

3-(3-nitrophenyl)-n'-(1-(4-nitrophenyl)ethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H14N6O5
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N6O5/c1-11(12-5-7-14(8-6-12)23(26)27)19-22-18(25)17-10-16(20-21-17)13-3-2-4-15(9-13)24(28)29/h2-10H,1H3,(H,20,21)(H,22,25)/b19-11+
InChIKey
YNNMBENINUOARN-YBFXNURJSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.10257 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10985 187.6
[M+Na]+ 417.09179 198.8
[M+NH4]+ 412.13639 191.6
[M+K]+ 433.06573 201.1
[M-H]- 393.09529 193.7
[M+Na-2H]- 415.07724 194.4
[M]+ 394.10202 190.2
[M]- 394.10312 190.2
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.