CID 3680165

95426-76-9

Structural Information

Molecular Formula
C18H20N2O2
SMILES
COC1=C(C=C(C=C1)C2=C(C3=CC=CC=C3N2)CCN)OC
InChI
InChI=1S/C18H20N2O2/c1-21-16-8-7-12(11-17(16)22-2)18-14(9-10-19)13-5-3-4-6-15(13)20-18/h3-8,11,20H,9-10,19H2,1-2H3
InChIKey
DVZWARAGEKCJTH-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

296.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.3
[M+Na]+ 319.14169 178.7
[M-H]- 295.14519 174.8
[M+NH4]+ 314.18629 185.5
[M+K]+ 335.11563 172.9
[M+H-H2O]+ 279.14973 161.3
[M+HCOO]- 341.15067 192.3
[M+CH3COO]- 355.16632 204.5
[M+Na-2H]- 317.12714 172.9
[M]+ 296.15192 172.2
[M]- 296.15302 172.2
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