PubChemLite - 488734-25-4 (C30H31NO7)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCOC)C4=CC(=C(C=C4)OC)OC)/O

InChI

InChI=1S/C30H31NO7/c1-19-16-22(38-18-20-8-6-5-7-9-20)11-12-23(19)28(32)26-27(31(14-15-35-2)30(34)29(26)33)21-10-13-24(36-3)25(17-21)37-4/h5-13,16-17,27,32H,14-15,18H2,1-4H3/b28-26+

InChIKey

DEEFNOHNHGYVRA-BYCLXTJYSA-N

Compound name

(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-methoxyethyl)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]+	518.21728	225.2
[M+Na]+	540.19922	230.5
[M-H]-	516.20272	235.5
[M+NH4]+	535.24382	230.4
[M+K]+	556.17316	226.2
[M+H-H2O]+	500.20726	213.9
[M+HCOO]-	562.20820	242.0
[M+CH3COO]-	576.22385	244.9
[M+Na-2H]-	538.18467	218.5
[M]+	517.20945	231.0
[M]-	517.21055	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.21728

225.2

[M+Na]+

540.19922

230.5

[M-H]-

516.20272

235.5

[M+NH4]+

535.24382

230.4

[M+K]+

556.17316

226.2

[M+H-H2O]+

500.20726

213.9

[M+HCOO]-

562.20820

242.0

[M+CH3COO]-

576.22385

244.9

[M+Na-2H]-

538.18467

218.5

[M]+

517.20945

231.0

[M]-

517.21055

231.0

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

488734-25-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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