CID 3041656

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

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

CCN(CC)CCCOC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C17H23NO3/c1-4-18(5-2)9-6-10-20-14-7-8-15-13(3)11-17(19)21-16(15)12-14/h7-8,11-12H,4-6,9-10H2,1-3H3

InChIKey

UDVYANVPBSOJFN-UHFFFAOYSA-N

Compound name

7-[3-(diethylamino)propoxy]-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.1678 Da
Monoisotopic Mass: 3.4
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]+	290.175076	168.6
[M+Na]+	312.157018	176.2
[M-H]-	288.160524	175.1
[M+NH4]+	307.201623	184.8
[M+K]+	328.130958	175.1
[M+H-H2O]+	272.165060	160.8
[M+HCOO]-	334.166001	191.7
[M+CH3COO]-	348.181651	210.0
[M+Na-2H]-	310.142466	174.0
[M]+	289.16725142	176.0
[M]-	289.16834858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe