PubChemLite - 488707-95-5 (C33H38N2O6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H38N2O6/c1-6-34(7-2)17-18-35-30(24-13-16-27(39-4)28(20-24)40-5)29(32(37)33(35)38)31(36)26-15-14-25(19-22(26)3)41-21-23-11-9-8-10-12-23/h8-16,19-20,30,36H,6-7,17-18,21H2,1-5H3/b31-29+

InChIKey

GKPOCIVHTMBXHD-OWWNRXNESA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-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]+	559.28028	238.7
[M+Na]+	581.26222	242.0
[M-H]-	557.26572	249.8
[M+NH4]+	576.30682	242.5
[M+K]+	597.23616	237.9
[M+H-H2O]+	541.27026	226.7
[M+HCOO]-	603.27120	255.8
[M+CH3COO]-	617.28685	259.4
[M+Na-2H]-	579.24767	230.4
[M]+	558.27245	244.6
[M]-	558.27355	244.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.28028

238.7

[M+Na]+

581.26222

242.0

[M-H]-

557.26572

249.8

[M+NH4]+

576.30682

242.5

[M+K]+

597.23616

237.9

[M+H-H2O]+

541.27026

226.7

[M+HCOO]-

603.27120

255.8

[M+CH3COO]-

617.28685

259.4

[M+Na-2H]-

579.24767

230.4

[M]+

558.27245

244.6

[M]-

558.27355

244.6

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

488707-95-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe