5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2h-pyrrol-2-one (C26H31NO7)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(\C3=CC(=C(C=C3)OC(C)C)C)/O)/C(=O)C(=O)N2CCOC)O

InChI

InChI=1S/C26H31NO7/c1-6-33-21-14-17(7-9-19(21)28)23-22(25(30)26(31)27(23)11-12-32-5)24(29)18-8-10-20(16(4)13-18)34-15(2)3/h7-10,13-15,23,28-29H,6,11-12H2,1-5H3/b24-22-

InChIKey

GRGBRUWUFWKXFY-GYHWCHFESA-N

Compound name

(4Z)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)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]+	470.217326	211.4
[M+Na]+	492.199268	216.9
[M-H]-	468.202774	217.6
[M+NH4]+	487.243873	218.7
[M+K]+	508.173208	213.4
[M+H-H2O]+	452.207310	202.7
[M+HCOO]-	514.208251	226.2
[M+CH3COO]-	528.223901	236.0
[M+Na-2H]-	490.184716	203.4
[M]+	469.20950142	216.6
[M]-	469.21059858	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.217326

211.4

[M+Na]+

492.199268

216.9

[M-H]-

468.202774

217.6

[M+NH4]+

487.243873

218.7

[M+K]+

508.173208

213.4

[M+H-H2O]+

452.207310

202.7

[M+HCOO]-

514.208251

226.2

[M+CH3COO]-

528.223901

236.0

[M+Na-2H]-

490.184716

203.4

[M]+

469.20950142

216.6

[M]-

469.21059858

216.6

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

5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(2-methoxyethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe