PubChemLite - 70516-41-5 (C34H34N2O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3

InChIKey

HUSIBQLZEMMTCQ-UHFFFAOYSA-N

Compound name

2'-anilino-6'-[ethyl(3-methylbutyl)amino]-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]+	519.26424	232.7
[M+Na]+	541.24618	248.1
[M+NH4]+	536.29078	242.6
[M+K]+	557.22012	237.7
[M-H]-	517.24968	244.2
[M+Na-2H]-	539.23163	239.1
[M]+	518.25641	238.7
[M]-	518.25751	238.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.26424

232.7

[M+Na]+

541.24618

248.1

[M+NH4]+

536.29078

242.6

[M+K]+

557.22012

237.7

[M-H]-

517.24968

244.2

[M+Na-2H]-

539.23163

239.1

[M]+

518.25641

238.7

[M]-

518.25751

238.7

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

70516-41-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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