CID 9622237

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

Structural Information

Molecular Formula
C18H14BrN5O3
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H14BrN5O3/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
QRCWKNWUYFRLQF-RGVLZGJSSA-N
Compound name
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03528 192.3
[M+Na]+ 450.01722 194.7
[M+NH4]+ 445.06182 194.2
[M+K]+ 465.99116 198.6
[M-H]- 426.02072 195.9
[M+Na-2H]- 448.00267 196.1
[M]+ 427.02745 192.1
[M]- 427.02855 192.1
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.