PubChemLite - 6'-(diethylamino)-2'-((dimethylphenyl)amino)-3'-methylspiro(isobenzofuran-1(3h),9'-(9h)xanthene)-3-one (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=CC=CC(=C6C)C)C

InChI

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

InChIKey

ONMXOWSAZNYHGE-UHFFFAOYSA-N

Compound name

6'-(diethylamino)-2'-(2,3-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	229.9
[M+Na]+	527.23052	238.2
[M-H]-	503.23402	243.7
[M+NH4]+	522.27512	240.9
[M+K]+	543.20446	234.1
[M+H-H2O]+	487.23856	218.3
[M+HCOO]-	549.23950	246.1
[M+CH3COO]-	563.25515	238.3
[M+Na-2H]-	525.21597	230.5
[M]+	504.24075	234.9
[M]-	504.24185	234.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.24858

229.9

[M+Na]+

527.23052

238.2

[M-H]-

503.23402

243.7

[M+NH4]+

522.27512

240.9

[M+K]+

543.20446

234.1

[M+H-H2O]+

487.23856

218.3

[M+HCOO]-

549.23950

246.1

[M+CH3COO]-

563.25515

238.3

[M+Na-2H]-

525.21597

230.5

[M]+

504.24075

234.9

[M]-

504.24185

234.9

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

6'-(diethylamino)-2'-((dimethylphenyl)amino)-3'-methylspiro(isobenzofuran-1(3h),9'-(9h)xanthene)-3-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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