CID 206800

2,3,4,9-tetrahydro-1-(3-pyridinyl)-1h-pyrido(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C16H15N3
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4
InChI
InChI=1S/C16H15N3/c1-2-6-14-12(5-1)13-7-9-18-15(16(13)19-14)11-4-3-8-17-10-11/h1-6,8,10,15,18-19H,7,9H2
InChIKey
AQBUEINLMNMICD-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 155.9
[M+Na]+ 272.11582 164.5
[M-H]- 248.11932 157.7
[M+NH4]+ 267.16042 171.2
[M+K]+ 288.08976 156.5
[M+H-H2O]+ 232.12386 146.6
[M+HCOO]- 294.12480 171.5
[M+CH3COO]- 308.14045 166.3
[M+Na-2H]- 270.10127 162.6
[M]+ 249.12605 151.3
[M]- 249.12715 151.3
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

No patent data available for this compound.