CID 2752214

4-benzyloxy-3-methoxybenzaldehyde azine

Structural Information

Molecular Formula
C30H28N2O4
SMILES
COC1=C(C=CC(=C1)C=NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OCC4=CC=CC=C4
InChI
InChI=1S/C30H28N2O4/c1-33-29-17-25(13-15-27(29)35-21-23-9-5-3-6-10-23)19-31-32-20-26-14-16-28(30(18-26)34-2)36-22-24-11-7-4-8-12-24/h3-20H,21-22H2,1-2H3
InChIKey
NIXVYGKEZUHDCD-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-phenylmethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2049 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21218 220.7
[M+Na]+ 503.19412 225.2
[M-H]- 479.19762 234.7
[M+NH4]+ 498.23872 227.6
[M+K]+ 519.16806 220.2
[M+H-H2O]+ 463.20216 206.4
[M+HCOO]- 525.20310 247.4
[M+CH3COO]- 539.21875 246.0
[M+Na-2H]- 501.17957 223.6
[M]+ 480.20435 226.7
[M]- 480.20545 226.7
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.