CID 218495

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

Structural Information

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

293.1528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 170.1
[M+Na]+ 316.142018 179.4
[M-H]- 292.145524 172.4
[M+NH4]+ 311.186623 184.1
[M+K]+ 332.115958 171.6
[M+H-H2O]+ 276.150060 160.8
[M+HCOO]- 338.151001 185.1
[M+CH3COO]- 352.166651 180.0
[M+Na-2H]- 314.127466 174.1
[M]+ 293.15225142 168.3
[M]- 293.15334858 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.