CID 4381618

N-(3,4-methylenedioxybenzylidene)-4-phenoxyaniline

Structural Information

Molecular Formula
C20H15NO3
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C20H15NO3/c1-2-4-17(5-3-1)24-18-9-7-16(8-10-18)21-13-15-6-11-19-20(12-15)23-14-22-19/h1-13H,14H2
InChIKey
XCFRKTWUUDSKDQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.1052 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11248 173.4
[M+Na]+ 340.09442 189.6
[M+NH4]+ 335.13902 182.8
[M+K]+ 356.06836 182.4
[M-H]- 316.09792 183.9
[M+Na-2H]- 338.07987 183.4
[M]+ 317.10465 178.9
[M]- 317.10575 178.9
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

patents stripe