CID 211174

9h-pyrido(3,4-b)indole, 1,9-dimethyl-6-methoxy-, monohydrochloride

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=NC=CC2=C1N(C3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C14H14N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4-8H,1-3H3

InChIKey

AJSYZGYPCGTQSU-UHFFFAOYSA-N

Compound name

6-methoxy-1,9-dimethylpyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 226.11061 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.11789	149.4
[M+Na]+	249.09983	165.9
[M+NH4]+	244.14443	159.1
[M+K]+	265.07377	159.4
[M-H]-	225.10333	152.4
[M+Na-2H]-	247.08528	156.5
[M]+	226.11006	152.9
[M]-	226.11116	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe