CID 202747

13210-12-3

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CC(CN(C)C)OC(=O)CC1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C20H23NO3/c1-14(13-21(2)3)23-20(22)12-17-15-8-4-6-10-18(15)24-19-11-7-5-9-16(17)19/h4-11,14,17H,12-13H2,1-3H3

InChIKey

GPUALPKHOKGODM-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl 2-(9H-xanthen-9-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 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]+	326.175076	178.3
[M+Na]+	348.157018	183.2
[M-H]-	324.160524	184.7
[M+NH4]+	343.201623	193.1
[M+K]+	364.130958	182.1
[M+H-H2O]+	308.165060	169.8
[M+HCOO]-	370.166001	196.5
[M+CH3COO]-	384.181651	216.9
[M+Na-2H]-	346.142466	182.5
[M]+	325.16725142	182.1
[M]-	325.16834858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.