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

12
Patents

267.17355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 164.7
[M+Na]+ 290.16277 175.4
[M-H]- 266.16627 169.7
[M+NH4]+ 285.20737 183.8
[M+K]+ 306.13671 170.8
[M+H-H2O]+ 250.17081 156.4
[M+HCOO]- 312.17175 187.3
[M+CH3COO]- 326.18740 177.6
[M+Na-2H]- 288.14822 169.8
[M]+ 267.17300 170.2
[M]- 267.17410 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