PubChemLite - 500268-32-6 (C32H36N2O6)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN(C)C)OC

InChI

InChI=1S/C32H36N2O6/c1-6-39-26-15-12-23(19-27(26)38-5)29-28(31(36)32(37)34(29)17-16-33(3)4)30(35)25-14-13-24(18-21(25)2)40-20-22-10-8-7-9-11-22/h7-15,18-19,29,35H,6,16-17,20H2,1-5H3/b30-28+

InChIKey

FMEUGRKVXXOSBT-SJCQXOIGSA-N

Compound name

(4E)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione

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]+	545.26458	234.4
[M+Na]+	567.24652	238.2
[M-H]-	543.25002	245.7
[M+NH4]+	562.29112	238.9
[M+K]+	583.22046	234.3
[M+H-H2O]+	527.25456	222.6
[M+HCOO]-	589.25550	251.9
[M+CH3COO]-	603.27115	256.6
[M+Na-2H]-	565.23197	226.6
[M]+	544.25675	240.1
[M]-	544.25785	240.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.26458

234.4

[M+Na]+

567.24652

238.2

[M-H]-

543.25002

245.7

[M+NH4]+

562.29112

238.9

[M+K]+

583.22046

234.3

[M+H-H2O]+

527.25456

222.6

[M+HCOO]-

589.25550

251.9

[M+CH3COO]-

603.27115

256.6

[M+Na-2H]-

565.23197

226.6

[M]+

544.25675

240.1

[M]-

544.25785

240.1

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

500268-32-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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