CID 5291723

16641-82-0

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

CC1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2

InChI

InChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3

InChIKey

LIAUJQLOCLVMMH-UHFFFAOYSA-N

Compound name

methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 28
Patents: 240.08987 Da
Monoisotopic Mass: 2.9
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]+	241.09715	152.5
[M+Na]+	263.07909	167.2
[M+NH4]+	258.12369	160.7
[M+K]+	279.05303	162.1
[M-H]-	239.08259	153.9
[M+Na-2H]-	261.06454	158.2
[M]+	240.08932	155.0
[M]-	240.09042	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe