CID 217277

2,3,4,9-tetrahydro-6-methoxy-3-methyl-1-(2-pyridinyl)-1h-pyrido(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1CC2=C(C(N1)C3=CC=CC=N3)NC4=C2C=C(C=C4)OC
InChI
InChI=1S/C18H19N3O/c1-11-9-14-13-10-12(22-2)6-7-15(13)21-17(14)18(20-11)16-5-3-4-8-19-16/h3-8,10-11,18,20-21H,9H2,1-2H3
InChIKey
KSWYQDHHSSNANH-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-1-pyridin-2-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

293.1528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 170.1
[M+Na]+ 316.14202 179.4
[M-H]- 292.14552 172.4
[M+NH4]+ 311.18662 184.1
[M+K]+ 332.11596 171.6
[M+H-H2O]+ 276.15006 160.8
[M+HCOO]- 338.15100 185.1
[M+CH3COO]- 352.16665 180.0
[M+Na-2H]- 314.12747 174.1
[M]+ 293.15225 168.3
[M]- 293.15335 168.3
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.