CID 3049658

9h-pyrido(3,4-b)indole, 1,3-dimethyl-9-ethyl-, hydrochloride

Structural Information

Molecular Formula
C15H16N2
SMILES
CCN1C2=CC=CC=C2C3=C1C(=NC(=C3)C)C
InChI
InChI=1S/C15H16N2/c1-4-17-14-8-6-5-7-12(14)13-9-10(2)16-11(3)15(13)17/h5-9H,4H2,1-3H3
InChIKey
UFTVPZQFCDAAJQ-UHFFFAOYSA-N
Compound name
9-ethyl-1,3-dimethylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 151.3
[M+Na]+ 247.120568 163.8
[M-H]- 223.124074 155.3
[M+NH4]+ 242.165173 171.9
[M+K]+ 263.094508 158.4
[M+H-H2O]+ 207.128610 144.0
[M+HCOO]- 269.129551 173.1
[M+CH3COO]- 283.145201 165.2
[M+Na-2H]- 245.106016 157.7
[M]+ 224.13080142 155.6
[M]- 224.13189858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.