1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one (C26H32N2O5)

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)O)O)OCC(C)C

InChI

InChI=1S/C26H32N2O5/c1-16(2)15-33-21-11-8-19(14-17(21)3)24(30)22-23(18-6-9-20(29)10-7-18)28(13-12-27(4)5)26(32)25(22)31/h6-11,14,16,23,29-30H,12-13,15H2,1-5H3

InChIKey

DLZHEGKOFYIMNZ-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(4-hydroxyphenyl)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]+	453.238376	210.4
[M+Na]+	475.220318	214.8
[M-H]-	451.223824	217.7
[M+NH4]+	470.264923	218.7
[M+K]+	491.194258	211.1
[M+H-H2O]+	435.228360	201.4
[M+HCOO]-	497.229301	226.5
[M+CH3COO]-	511.244951	238.5
[M+Na-2H]-	473.205766	202.5
[M]+	452.23055142	212.9
[M]-	452.23164858	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.238376

210.4

[M+Na]+

475.220318

214.8

[M-H]-

451.223824

217.7

[M+NH4]+

470.264923

218.7

[M+K]+

491.194258

211.1

[M+H-H2O]+

435.228360

201.4

[M+HCOO]-

497.229301

226.5

[M+CH3COO]-

511.244951

238.5

[M+Na-2H]-

473.205766

202.5

[M]+

452.23055142

212.9

[M]-

452.23164858

212.9

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

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe