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]+ 278.165176 167.1
[M+Na]+ 300.147118 177.0
[M-H]- 276.150624 170.7
[M+NH4]+ 295.191723 182.6
[M+K]+ 316.121058 169.4
[M+H-H2O]+ 260.155160 157.5
[M+HCOO]- 322.156101 183.4
[M+CH3COO]- 336.171751 177.9
[M+Na-2H]- 298.132566 171.4
[M]+ 277.15735142 165.6
[M]- 277.15844858 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.