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

16
Patents

296.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 169.3
[M+Na]+ 319.141688 178.7
[M-H]- 295.145194 174.8
[M+NH4]+ 314.186293 185.5
[M+K]+ 335.115628 172.9
[M+H-H2O]+ 279.149730 161.3
[M+HCOO]- 341.150671 192.3
[M+CH3COO]- 355.166321 204.5
[M+Na-2H]- 317.127136 172.9
[M]+ 296.15192142 172.2
[M]- 296.15301858 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