CID 1990821

353773-38-3

Structural Information

Molecular Formula
C17H21NO2
SMILES
COC1=CC(=C(C=C1)OC)CNCCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-19-16-8-9-17(20-2)15(12-16)13-18-11-10-14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3
InChIKey
IAEIRIQVUSGNFI-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethoxyphenyl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 163.8
[M+Na]+ 294.14645 170.0
[M-H]- 270.14995 170.2
[M+NH4]+ 289.19105 179.8
[M+K]+ 310.12039 166.4
[M+H-H2O]+ 254.15449 155.5
[M+HCOO]- 316.15543 188.6
[M+CH3COO]- 330.17108 202.2
[M+Na-2H]- 292.13190 169.2
[M]+ 271.15668 166.8
[M]- 271.15778 166.8
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

patents stripe