CID 135651463

3-(3-(benzyloxy)ph)n'-(1-(4-ho-3-meo-ph)ethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H24N4O4
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)OCC3=CC=CC=C3)/C4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C26H24N4O4/c1-17(19-11-12-24(31)25(14-19)33-2)27-30-26(32)23-15-22(28-29-23)20-9-6-10-21(13-20)34-16-18-7-4-3-5-8-18/h3-15,31H,16H2,1-2H3,(H,28,29)(H,30,32)/b27-17+
InChIKey
HRKNKUIPXCYDTN-WPWMEQJKSA-N
Compound name
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17975 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18703 207.9
[M+Na]+ 479.16897 211.9
[M-H]- 455.17247 217.0
[M+NH4]+ 474.21357 213.0
[M+K]+ 495.14291 206.3
[M+H-H2O]+ 439.17701 195.7
[M+HCOO]- 501.17795 228.3
[M+CH3COO]- 515.19360 234.8
[M+Na-2H]- 477.15442 208.1
[M]+ 456.17920 208.6
[M]- 456.18030 208.6
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.