CID 159809

Tetrahydroharmine hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKey
ZXLDQJLIBNPEFJ-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

1965
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.2
[M+Na]+ 239.11549 161.6
[M+NH4]+ 234.16009 157.2
[M+K]+ 255.08943 156.1
[M-H]- 215.11899 149.7
[M+Na-2H]- 237.10094 152.8
[M]+ 216.12572 150.5
[M]- 216.12682 150.5
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