CID 203534

Brn 0630805

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₃

SMILES

CC1=NC=C(C(=C1O)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC)CO

InChI

InChI=1S/C19H21N3O3/c1-10-19(24)16(11(9-23)8-21-10)18-17-13(5-6-20-18)14-7-12(25-2)3-4-15(14)22-17/h3-4,7-8,18,20,22-24H,5-6,9H2,1-2H3

InChIKey

JATYSPGBCYHIBN-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-4-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.1583 Da
Monoisotopic Mass: 1.2
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]+	340.165576	182.0
[M+Na]+	362.147518	191.2
[M-H]-	338.151024	182.3
[M+NH4]+	357.192123	193.1
[M+K]+	378.121458	183.4
[M+H-H2O]+	322.155560	173.5
[M+HCOO]-	384.156501	193.8
[M+CH3COO]-	398.172151	190.5
[M+Na-2H]-	360.132966	183.5
[M]+	339.15775142	180.8
[M]-	339.15884858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.