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 181.6
[M+Na]+ 361.15228 196.2
[M+NH4]+ 356.19688 189.4
[M+K]+ 377.12622 190.1
[M-H]- 337.15578 185.0
[M+Na-2H]- 359.13773 186.9
[M]+ 338.16251 184.7
[M]- 338.16361 184.7
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