PubChemLite - 498534-74-0 (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)O)OCC

InChI

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

InChIKey

UDWBAGJJVUCZLA-OWWNRXNESA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-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	238.5
[M+Na]+	581.26222	241.3
[M-H]-	557.26572	248.2
[M+NH4]+	576.30682	241.6
[M+K]+	597.23616	236.6
[M+H-H2O]+	541.27026	226.9
[M+HCOO]-	603.27120	254.1
[M+CH3COO]-	617.28685	257.5
[M+Na-2H]-	579.24767	229.9
[M]+	558.27245	242.7
[M]-	558.27355	242.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.28028

238.5

[M+Na]+

581.26222

241.3

[M-H]-

557.26572

248.2

[M+NH4]+

576.30682

241.6

[M+K]+

597.23616

236.6

[M+H-H2O]+

541.27026

226.9

[M+HCOO]-

603.27120

254.1

[M+CH3COO]-

617.28685

257.5

[M+Na-2H]-

579.24767

229.9

[M]+

558.27245

242.7

[M]-

558.27355

242.7

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

498534-74-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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