CID 3070937

87203-61-0

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C17H21NO2/c1-12-4-7-14(8-5-12)15(18)10-13-6-9-16(19-2)17(11-13)20-3/h4-9,11,15H,10,18H2,1-3H3
InChIKey
KFDBOENRVXPIPH-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.8
[M+Na]+ 294.14645 171.7
[M-H]- 270.14995 171.3
[M+NH4]+ 289.19105 180.9
[M+K]+ 310.12039 168.4
[M+H-H2O]+ 254.15449 156.9
[M+HCOO]- 316.15543 188.0
[M+CH3COO]- 330.17108 203.7
[M+Na-2H]- 292.13190 167.2
[M]+ 271.15668 166.7
[M]- 271.15778 166.7
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