CID 639591

N-methoxy-1-vinyl-beta-carboline

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CON1C2=CC=CC=C2C3=C1C(=NC=C3)C=C

InChI

InChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3

InChIKey

CXIOSEMXFPKHOB-UHFFFAOYSA-N

Compound name

1-ethenyl-9-methoxypyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 224.09496 Da
Monoisotopic Mass: 3.5
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]+	225.10224	148.6
[M+Na]+	247.08418	164.8
[M+NH4]+	242.12878	158.0
[M+K]+	263.05812	158.0
[M-H]-	223.08768	151.3
[M+Na-2H]-	245.06963	155.9
[M]+	224.09441	151.9
[M]-	224.09551	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe