CID 54588462

1253640-41-3

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CN1CCC2=C(C1)C3=C(N2)C(=CC=C3)OC

InChI

InChI=1S/C13H16N2O/c1-15-7-6-11-10(8-15)9-4-3-5-12(16-2)13(9)14-11/h3-5,14H,6-8H2,1-2H3

InChIKey

WCXJOWOZMZUUGW-UHFFFAOYSA-N

Compound name

6-methoxy-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 216.12627 Da
Monoisotopic Mass: 1.9
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]+	217.13355	147.9
[M+Na]+	239.11549	161.8
[M+NH4]+	234.16009	157.2
[M+K]+	255.08943	156.1
[M-H]-	215.11899	149.9
[M+Na-2H]-	237.10094	153.0
[M]+	216.12572	150.4
[M]-	216.12682	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe