CID 3042379

Brn 1140650

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

CC1=NC2=C(C=C1)C(C3=CC=CC=C3O2)(CCCN(C)C)O

InChI

InChI=1S/C18H22N2O2/c1-13-9-10-15-17(19-13)22-16-8-5-4-7-14(16)18(15,21)11-6-12-20(2)3/h4-5,7-10,21H,6,11-12H2,1-3H3

InChIKey

WLGGYIJORGCEJS-UHFFFAOYSA-N

Compound name

5-[3-(dimethylamino)propyl]-2-methylchromeno[2,3-b]pyridin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.16812 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]+	299.175396	171.5
[M+Na]+	321.157338	179.4
[M-H]-	297.160844	176.0
[M+NH4]+	316.201943	188.1
[M+K]+	337.131278	176.7
[M+H-H2O]+	281.165380	163.0
[M+HCOO]-	343.166321	189.2
[M+CH3COO]-	357.181971	209.4
[M+Na-2H]-	319.142786	179.0
[M]+	298.16757142	174.6
[M]-	298.16866858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.