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]+ 288.159406 166.9
[M+Na]+ 310.141348 173.9
[M-H]- 286.144854 173.7
[M+NH4]+ 305.185953 182.5
[M+K]+ 326.115288 171.0
[M+H-H2O]+ 270.149390 158.5
[M+HCOO]- 332.150331 191.9
[M+CH3COO]- 346.165981 205.5
[M+Na-2H]- 308.126796 171.6
[M]+ 287.15158142 171.8
[M]- 287.15267858 171.8
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.