CID 201174

1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronorharman hydrochloride

Structural Information

Molecular Formula
C20H22N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C20H22N2O3/c1-23-16-10-12(11-17(24-2)20(16)25-3)18-19-14(8-9-21-18)13-6-4-5-7-15(13)22-19/h4-7,10-11,18,21-22H,8-9H2,1-3H3
InChIKey
YPOUKKHERCNHSK-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

338.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 180.6
[M+Na]+ 361.15228 189.3
[M-H]- 337.15578 184.3
[M+NH4]+ 356.19688 194.2
[M+K]+ 377.12622 182.9
[M+H-H2O]+ 321.16032 171.7
[M+HCOO]- 383.16126 196.4
[M+CH3COO]- 397.17691 190.4
[M+Na-2H]- 359.13773 183.1
[M]+ 338.16251 182.1
[M]- 338.16361 182.1
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.