CID 24844834

9h-pyrido(3,4-b)indole, 1,3-dimethyl-9-(2-(dimethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H21N3
SMILES
CC1=CC2=C(C(=N1)C)N(C3=CC=CC=C32)CCN(C)C
InChI
InChI=1S/C17H21N3/c1-12-11-15-14-7-5-6-8-16(14)20(10-9-19(3)4)17(15)13(2)18-12/h5-8,11H,9-10H2,1-4H3
InChIKey
QPFXJAJDRLQYON-UHFFFAOYSA-N
Compound name
2-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.17355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 164.7
[M+Na]+ 290.162768 175.4
[M-H]- 266.166274 169.7
[M+NH4]+ 285.207373 183.8
[M+K]+ 306.136708 170.8
[M+H-H2O]+ 250.170810 156.4
[M+HCOO]- 312.171751 187.3
[M+CH3COO]- 326.187401 177.6
[M+Na-2H]- 288.148216 169.8
[M]+ 267.17300142 170.2
[M]- 267.17409858 170.2
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

patents stripe