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 200.3
[M+Na]+ 464.13292 202.6
[M-H]- 440.13642 210.3
[M+NH4]+ 459.17752 205.2
[M+K]+ 480.10686 192.6
[M+H-H2O]+ 424.14096 191.8
[M+HCOO]- 486.14190 224.0
[M+CH3COO]- 500.15755 225.7
[M+Na-2H]- 462.11837 205.9
[M]+ 441.14315 197.7
[M]- 441.14425 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.