CID 4217960

N-(4-benzyloxybenzylidene)-5-chloro-2,4-dimethoxyaniline

Structural Information

Molecular Formula
C22H20ClNO3
SMILES
COC1=CC(=C(C=C1N=CC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl)OC
InChI
InChI=1S/C22H20ClNO3/c1-25-21-13-22(26-2)20(12-19(21)23)24-14-16-8-10-18(11-9-16)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKey
MEXKJXDLOBVPHX-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-phenylmethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11316 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12044 191.0
[M+Na]+ 404.10238 199.5
[M-H]- 380.10588 201.9
[M+NH4]+ 399.14698 203.9
[M+K]+ 420.07632 193.7
[M+H-H2O]+ 364.11042 181.1
[M+HCOO]- 426.11136 212.5
[M+CH3COO]- 440.12701 222.1
[M+Na-2H]- 402.08783 194.4
[M]+ 381.11261 198.6
[M]- 381.11371 198.6
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.