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

34
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

literature stripe

Patent stripe

patents stripe