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

1
Patents

249.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.133876 155.9
[M+Na]+ 272.115818 164.5
[M-H]- 248.119324 157.7
[M+NH4]+ 267.160423 171.2
[M+K]+ 288.089758 156.5
[M+H-H2O]+ 232.123860 146.6
[M+HCOO]- 294.124801 171.5
[M+CH3COO]- 308.140451 166.3
[M+Na-2H]- 270.101266 162.6
[M]+ 249.12605142 151.3
[M]- 249.12714858 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

patents stripe