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 172.1
[M+Na]+ 340.09442 179.7
[M-H]- 316.09792 185.3
[M+NH4]+ 335.13902 186.3
[M+K]+ 356.06836 177.5
[M+H-H2O]+ 300.10246 163.4
[M+HCOO]- 362.10340 196.3
[M+CH3COO]- 376.11905 184.7
[M+Na-2H]- 338.07987 179.1
[M]+ 317.10465 175.2
[M]- 317.10575 175.2
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