CID 9665662

4-(allyloxy)-n'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)benzohydrazide

Structural Information

Molecular Formula
C26H25ClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC=C)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H25ClN2O4/c1-3-15-32-23-12-8-21(9-13-23)26(30)29-28-17-20-7-14-24(25(16-20)31-4-2)33-18-19-5-10-22(27)11-6-19/h3,5-14,16-17H,1,4,15,18H2,2H3,(H,29,30)/b28-17+
InChIKey
HRXSVDWRJPNRKB-OGLMXYFKSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1503 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15758 213.7
[M+Na]+ 487.13952 219.4
[M-H]- 463.14302 223.9
[M+NH4]+ 482.18412 222.4
[M+K]+ 503.11346 213.1
[M+H-H2O]+ 447.14756 202.7
[M+HCOO]- 509.14850 234.4
[M+CH3COO]- 523.16415 239.7
[M+Na-2H]- 485.12497 214.5
[M]+ 464.14975 221.3
[M]- 464.15085 221.3
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.