CID 3041657

2h-1-benzopyran-2-one, 4-methyl-7-(3-(1-piperidinyl)propoxy)-

Structural Information

Molecular Formula

C₁₈H₂₃NO₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCCCC3

InChI

InChI=1S/C18H23NO3/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19/h6-7,12-13H,2-5,8-11H2,1H3

InChIKey

DSTDFQUMCKIYSX-UHFFFAOYSA-N

Compound name

4-methyl-7-(3-piperidin-1-ylpropoxy)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.1678 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]+	302.175076	171.0
[M+Na]+	324.157018	177.1
[M-H]-	300.160524	176.9
[M+NH4]+	319.201623	184.2
[M+K]+	340.130958	174.1
[M+H-H2O]+	284.165060	161.6
[M+HCOO]-	346.166001	187.9
[M+CH3COO]-	360.181651	204.3
[M+Na-2H]-	322.142466	175.5
[M]+	301.16725142	171.6
[M]-	301.16834858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe