PubChemLite - 36431-22-8 (C33H32N2O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=C(C=C(C=C6)C)C)C

InChI

InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3

InChIKey

GFGSEGIRJFDXFP-UHFFFAOYSA-N

Compound name

6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[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]+	505.24858	229.2
[M+Na]+	527.23052	245.9
[M+NH4]+	522.27512	239.5
[M+K]+	543.20446	235.3
[M-H]-	503.23402	241.1
[M+Na-2H]-	525.21597	235.7
[M]+	504.24075	235.6
[M]-	504.24185	235.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.24858

229.2

[M+Na]+

527.23052

245.9

[M+NH4]+

522.27512

239.5

[M+K]+

543.20446

235.3

[M-H]-

503.23402

241.1

[M+Na-2H]-

525.21597

235.7

[M]+

504.24075

235.6

[M]-

504.24185

235.6

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

36431-22-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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