CID 21125493

Ns00050727

Structural Information

Molecular Formula

C₂₄H₂₉NO₃

SMILES

CCN(CC)CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)CC3=CC=CO3

InChI

InChI=1S/C24H29NO3/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3

InChIKey

BVNXTXYIYBWOJC-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-(furan-2-ylmethyl)-3-naphthalen-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.21475 Da
Monoisotopic Mass: 5.1
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]+	380.222026	197.7
[M+Na]+	402.203968	201.8
[M-H]-	378.207474	206.3
[M+NH4]+	397.248573	210.7
[M+K]+	418.177908	199.5
[M+H-H2O]+	362.212010	188.5
[M+HCOO]-	424.212951	219.8
[M+CH3COO]-	438.228601	224.7
[M+Na-2H]-	400.189416	198.8
[M]+	379.21420142	204.7
[M]-	379.21529858	204.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.