CID 51060827

N'-(2-((4-chlorobenzyl)oxy)benzylidene)-3,4-dimethoxybenzohydrazide

Structural Information

Molecular Formula
C23H21ClN2O4
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C23H21ClN2O4/c1-28-21-12-9-17(13-22(21)29-2)23(27)26-25-14-18-5-3-4-6-20(18)30-15-16-7-10-19(24)11-8-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKey
ZXMKUIOUILJVPE-AFUMVMLFSA-N
Compound name
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.119 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12628 201.2
[M+Na]+ 447.10822 208.0
[M-H]- 423.11172 212.0
[M+NH4]+ 442.15282 211.7
[M+K]+ 463.08216 203.0
[M+H-H2O]+ 407.11626 190.8
[M+HCOO]- 469.11720 222.8
[M+CH3COO]- 483.13285 231.7
[M+Na-2H]- 445.09367 203.6
[M]+ 424.11845 208.5
[M]- 424.11955 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.