CID 135209

Ci 923

Structural Information

Molecular Formula

C₁₇H₂₂N₂O₂

SMILES

CCNC(C)CN1CCC2=C(C1)C(=O)OC3=CC=CC=C23

InChI

InChI=1S/C17H22N2O2/c1-3-18-12(2)10-19-9-8-13-14-6-4-5-7-16(14)21-17(20)15(13)11-19/h4-7,12,18H,3,8-11H2,1-2H3

InChIKey

MJRICTKAEYTJAV-UHFFFAOYSA-N

Compound name

3-[2-(ethylamino)propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 48
Patents: 286.16812 Da
Monoisotopic Mass: 1.7
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]+	287.17540	167.0
[M+Na]+	309.15734	173.5
[M-H]-	285.16084	170.9
[M+NH4]+	304.20194	181.8
[M+K]+	325.13128	170.3
[M+H-H2O]+	269.16538	158.4
[M+HCOO]-	331.16632	183.8
[M+CH3COO]-	345.18197	206.6
[M+Na-2H]-	307.14279	173.0
[M]+	286.16757	167.3
[M]-	286.16867	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe