CID 3588232

N-piperonylidene-p-phenetidine

Structural Information

Molecular Formula
C16H15NO3
SMILES
CCOC1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H15NO3/c1-2-18-14-6-4-13(5-7-14)17-10-12-3-8-15-16(9-12)20-11-19-15/h3-10H,2,11H2,1H3
InChIKey
BDYURPHWKSBOIF-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 159.9
[M+Na]+ 292.09442 167.9
[M-H]- 268.09792 170.2
[M+NH4]+ 287.13902 176.8
[M+K]+ 308.06836 167.0
[M+H-H2O]+ 252.10246 152.7
[M+HCOO]- 314.10340 184.3
[M+CH3COO]- 328.11905 173.4
[M+Na-2H]- 290.07987 167.3
[M]+ 269.10465 164.5
[M]- 269.10575 164.5
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.