CID 3304750

N-(4-ethoxyphenyl)veratrylamine

Structural Information

Molecular Formula
C17H21NO3
SMILES
CCOC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H21NO3/c1-4-21-15-8-6-14(7-9-15)18-12-13-5-10-16(19-2)17(11-13)20-3/h5-11,18H,4,12H2,1-3H3
InChIKey
VPCKXSWBIUDZBT-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-4-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 168.0
[M+Na]+ 310.14135 181.8
[M+NH4]+ 305.18595 175.9
[M+K]+ 326.11529 173.8
[M-H]- 286.14485 172.9
[M+Na-2H]- 308.12680 176.5
[M]+ 287.15158 171.4
[M]- 287.15268 171.4
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.