PubChemLite - 34342-67-1 (C39H36N2O3)

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)C

InChI

InChI=1S/C39H36N2O3/c1-4-40(5-2)30-20-21-34-36(24-30)43-37-27(3)22-31(23-35(37)39(34)33-19-13-12-18-32(33)38(42)44-39)41(25-28-14-8-6-9-15-28)26-29-16-10-7-11-17-29/h6-24H,4-5,25-26H2,1-3H3

InChIKey

VDBOFGZVSSZTBU-UHFFFAOYSA-N

Compound name

2'-(dibenzylamino)-6'-(diethylamino)-4'-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]+	581.27988	248.9
[M+Na]+	603.26182	266.4
[M+NH4]+	598.30642	259.2
[M+K]+	619.23576	254.2
[M-H]-	579.26532	263.2
[M+Na-2H]-	601.24727	257.9
[M]+	580.27205	256.1
[M]-	580.27315	256.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.27988

248.9

[M+Na]+

603.26182

266.4

[M+NH4]+

598.30642

259.2

[M+K]+

619.23576

254.2

[M-H]-

579.26532

263.2

[M+Na-2H]-

601.24727

257.9

[M]+

580.27205

256.1

[M]-

580.27315

256.1

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

34342-67-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe