CID 218683

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

Structural Information

Molecular Formula
C18H19N3
SMILES
CC1CC2=C(C(N1)C3=CN=CC=C3)N(C4=CC=CC=C24)C
InChI
InChI=1S/C18H19N3/c1-12-10-15-14-7-3-4-8-16(14)21(2)18(15)17(20-12)13-6-5-9-19-11-13/h3-9,11-12,17,20H,10H2,1-2H3
InChIKey
VOGGYRCRLYHQPA-UHFFFAOYSA-N
Compound name
3,9-dimethyl-1-pyridin-3-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 167.1
[M+Na]+ 300.14712 177.0
[M-H]- 276.15062 170.7
[M+NH4]+ 295.19172 182.6
[M+K]+ 316.12106 169.4
[M+H-H2O]+ 260.15516 157.5
[M+HCOO]- 322.15610 183.4
[M+CH3COO]- 336.17175 177.9
[M+Na-2H]- 298.13257 171.4
[M]+ 277.15735 165.6
[M]- 277.15845 165.6
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.