CID 45054871

N'-(3-(allyloxy)benzylidene)-4-((4-chlorobenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C24H21ClN2O3
SMILES
C=CCOC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O3/c1-2-14-29-23-5-3-4-19(15-23)16-26-27-24(28)20-8-12-22(13-9-20)30-17-18-6-10-21(25)11-7-18/h2-13,15-16H,1,14,17H2,(H,27,28)/b26-16+
InChIKey
MHZDLNQYBPOVFI-WGOQTCKBSA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.12408 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13136 202.0
[M+Na]+ 443.11330 208.0
[M-H]- 419.11680 212.2
[M+NH4]+ 438.15790 212.3
[M+K]+ 459.08724 201.2
[M+H-H2O]+ 403.12134 191.5
[M+HCOO]- 465.12228 223.2
[M+CH3COO]- 479.13793 230.6
[M+Na-2H]- 441.09875 204.5
[M]+ 420.12353 207.1
[M]- 420.12463 207.1
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.