PubChemLite - 608494-48-0 (C26H30N2O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)OC)O)OCC=C

InChI

InChI=1S/C26H30N2O5/c1-6-15-33-21-12-9-19(16-17(21)2)24(29)22-23(18-7-10-20(32-5)11-8-18)28(14-13-27(3)4)26(31)25(22)30/h6-12,16,23,29H,1,13-15H2,2-5H3

InChIKey

LPYQDYGKAPNIBE-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-methoxyphenyl)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]+	451.22276	209.5
[M+Na]+	473.20470	215.0
[M-H]-	449.20820	218.1
[M+NH4]+	468.24930	218.6
[M+K]+	489.17864	210.7
[M+H-H2O]+	433.21274	199.9
[M+HCOO]-	495.21368	228.3
[M+CH3COO]-	509.22933	239.0
[M+Na-2H]-	471.19015	203.1
[M]+	450.21493	213.6
[M]-	450.21603	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.22276

209.5

[M+Na]+

473.20470

215.0

[M-H]-

449.20820

218.1

[M+NH4]+

468.24930

218.6

[M+K]+

489.17864

210.7

[M+H-H2O]+

433.21274

199.9

[M+HCOO]-

495.21368

228.3

[M+CH3COO]-

509.22933

239.0

[M+Na-2H]-

471.19015

203.1

[M]+

450.21493

213.6

[M]-

450.21603

213.6

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

608494-48-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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