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]+ 442.150976 200.3
[M+Na]+ 464.132918 202.6
[M-H]- 440.136424 210.3
[M+NH4]+ 459.177523 205.2
[M+K]+ 480.106858 192.6
[M+H-H2O]+ 424.140960 191.8
[M+HCOO]- 486.141901 224.0
[M+CH3COO]- 500.157551 225.7
[M+Na-2H]- 462.118366 205.9
[M]+ 441.14315142 197.7
[M]- 441.14424858 197.7
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.