CID 214170

27819-47-2

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CCN(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3

InChIKey

HIGMQFBAGGGECD-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 9H-xanthene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 325.1678 Da
Monoisotopic Mass: 3.3
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]+	326.175076	178.1
[M+Na]+	348.157018	183.4
[M-H]-	324.160524	184.4
[M+NH4]+	343.201623	193.0
[M+K]+	364.130958	181.6
[M+H-H2O]+	308.165060	169.4
[M+HCOO]-	370.166001	197.4
[M+CH3COO]-	384.181651	216.0
[M+Na-2H]-	346.142466	183.4
[M]+	325.16725142	182.4
[M]-	325.16834858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe