PubChemLite - 34372-72-0 (C38H34N2O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3

InChIKey

DXYZIGZCEVJFIX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	567.26424	242.3
[M+Na]+	589.24618	246.7
[M-H]-	565.24968	258.1
[M+NH4]+	584.29078	249.3
[M+K]+	605.22012	242.8
[M+H-H2O]+	549.25422	227.7
[M+HCOO]-	611.25516	258.0
[M+CH3COO]-	625.27081	248.5
[M+Na-2H]-	587.23163	243.0
[M]+	566.25641	245.2
[M]-	566.25751	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.26424

242.3

[M+Na]+

589.24618

246.7

[M-H]-

565.24968

258.1

[M+NH4]+

584.29078

249.3

[M+K]+

605.22012

242.8

[M+H-H2O]+

549.25422

227.7

[M+HCOO]-

611.25516

258.0

[M+CH3COO]-

625.27081

248.5

[M+Na-2H]-

587.23163

243.0

[M]+

566.25641

245.2

[M]-

566.25751

245.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

34372-72-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe