CID 9575515

Benzaldehyde, 3-methoxy-4-phenoxy-, [(1e)-(3-methoxy-4-phenoxyphenyl)methylidene]hydrazone

Structural Information

Molecular Formula
C28H24N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)OC)OC4=CC=CC=C4
InChI
InChI=1S/C28H24N2O4/c1-31-27-17-21(13-15-25(27)33-23-9-5-3-6-10-23)19-29-30-20-22-14-16-26(28(18-22)32-2)34-24-11-7-4-8-12-24/h3-20H,1-2H3/b29-19+,30-20+
InChIKey
XHBRSRGALCGZMQ-CZYCKNNWSA-N
Compound name
(E)-1-(3-methoxy-4-phenoxyphenyl)-N-[(E)-(3-methoxy-4-phenoxyphenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.1736 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18088 212.0
[M+Na]+ 475.16282 217.4
[M-H]- 451.16632 226.5
[M+NH4]+ 470.20742 220.1
[M+K]+ 491.13676 212.8
[M+H-H2O]+ 435.17086 198.2
[M+HCOO]- 497.17180 239.4
[M+CH3COO]- 511.18745 240.3
[M+Na-2H]- 473.14827 216.0
[M]+ 452.17305 217.5
[M]- 452.17415 217.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.