CID 6888276

3-(2-(benzyloxy)phenyl)-n'-(4-nitrobenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C24H19N5O4
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H19N5O4/c30-24(28-25-15-17-10-12-19(13-11-17)29(31)32)22-14-21(26-27-22)20-8-4-5-9-23(20)33-16-18-6-2-1-3-7-18/h1-15H,16H2,(H,26,27)(H,28,30)/b25-15+
InChIKey
ATARYXIDQRSRCB-MFKUBSTISA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1437 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15098 203.1
[M+Na]+ 464.13292 216.7
[M+NH4]+ 459.17752 208.2
[M+K]+ 480.10686 213.5
[M-H]- 440.13642 211.3
[M+Na-2H]- 462.11837 213.6
[M]+ 441.14315 207.0
[M]- 441.14425 207.0
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.