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]+ 225.13863 151.3
[M+Na]+ 247.12057 163.8
[M-H]- 223.12407 155.3
[M+NH4]+ 242.16517 171.9
[M+K]+ 263.09451 158.4
[M+H-H2O]+ 207.12861 144.0
[M+HCOO]- 269.12955 173.1
[M+CH3COO]- 283.14520 165.2
[M+Na-2H]- 245.10602 157.7
[M]+ 224.13080 155.6
[M]- 224.13190 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.