CID 14533802

72089-06-6

Structural Information

Molecular Formula

C₂₅H₂₃NO₃

SMILES

CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)C)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C25H23NO3/c1-4-26(5-2)17-11-13-21-23(15-17)28-22-14-16(3)10-12-20(22)25(21)19-9-7-6-8-18(19)24(27)29-25/h6-15H,4-5H2,1-3H3

InChIKey

WRAVJWWNQKATAG-UHFFFAOYSA-N

Compound name

3'-(diethylamino)-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 385.1678 Da
Monoisotopic Mass: 5.4
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]+	386.175076	194.0
[M+Na]+	408.157018	203.3
[M-H]-	384.160524	205.1
[M+NH4]+	403.201623	210.5
[M+K]+	424.130958	200.1
[M+H-H2O]+	368.165060	184.9
[M+HCOO]-	430.166001	211.4
[M+CH3COO]-	444.181651	205.1
[M+Na-2H]-	406.142466	198.5
[M]+	385.16725142	198.7
[M]-	385.16834858	198.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe