CID 9617938

N'-[(1e)-1-(4-chlorophenyl)ethylidene]-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C18H14ClN5O3
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClN5O3/c1-11(12-5-7-14(19)8-6-12)20-23-18(25)17-10-16(21-22-17)13-3-2-4-15(9-13)24(26)27/h2-10H,1H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
VPCZBBNDFOPQJL-RGVLZGJSSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.07852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08580 184.6
[M+Na]+ 406.06774 197.7
[M+NH4]+ 401.11234 190.3
[M+K]+ 422.04168 195.6
[M-H]- 382.07124 190.5
[M+Na-2H]- 404.05319 192.9
[M]+ 383.07797 188.0
[M]- 383.07907 188.0
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.