CID 3045967

3-((2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)methyl)-1h-indol-5-ol hydrochloride

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)CC4=CNC5=C4C=C(C=C5)O
InChI
InChI=1S/C20H19N3O/c24-13-5-6-17-16(10-13)12(11-22-17)9-19-20-15(7-8-21-19)14-3-1-2-4-18(14)23-20/h1-6,10-11,19,21-24H,7-9H2
InChIKey
CVENZLHAKRTHTA-UHFFFAOYSA-N
Compound name
3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16008 172.2
[M+Na]+ 340.14202 181.8
[M-H]- 316.14552 173.9
[M+NH4]+ 335.18662 186.7
[M+K]+ 356.11596 172.0
[M+H-H2O]+ 300.15006 164.3
[M+HCOO]- 362.15100 185.7
[M+CH3COO]- 376.16665 181.5
[M+Na-2H]- 338.12747 175.2
[M]+ 317.15225 169.1
[M]- 317.15335 169.1
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.