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]+ 457.187026 207.9
[M+Na]+ 479.168968 211.9
[M-H]- 455.172474 217.0
[M+NH4]+ 474.213573 213.0
[M+K]+ 495.142908 206.3
[M+H-H2O]+ 439.177010 195.7
[M+HCOO]- 501.177951 228.3
[M+CH3COO]- 515.193601 234.8
[M+Na-2H]- 477.154416 208.1
[M]+ 456.17920142 208.6
[M]- 456.18029858 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.