4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[3-(1h-imidazol-1-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one (C24H22FN3O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)O)O)F

InChI

InChI=1S/C24H22FN3O4/c1-15-6-7-17(13-19(15)25)22(30)20-21(16-4-2-5-18(29)12-16)28(24(32)23(20)31)10-3-9-27-11-8-26-14-27/h2,4-8,11-14,21,29-30H,3,9-10H2,1H3

InChIKey

YGYWJZYGRFZRRA-UHFFFAOYSA-N

Compound name

4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)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]+	436.166696	203.4
[M+Na]+	458.148638	210.9
[M-H]-	434.152144	209.8
[M+NH4]+	453.193243	210.8
[M+K]+	474.122578	203.6
[M+H-H2O]+	418.156680	192.6
[M+HCOO]-	480.157621	217.8
[M+CH3COO]-	494.173271	225.2
[M+Na-2H]-	456.134086	196.0
[M]+	435.15887142	202.1
[M]-	435.15996858	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.166696

203.4

[M+Na]+

458.148638

210.9

[M-H]-

434.152144

209.8

[M+NH4]+

453.193243

210.8

[M+K]+

474.122578

203.6

[M+H-H2O]+

418.156680

192.6

[M+HCOO]-

480.157621

217.8

[M+CH3COO]-

494.173271

225.2

[M+Na-2H]-

456.134086

196.0

[M]+

435.15887142

202.1

[M]-

435.15996858

202.1

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

4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[3-(1h-imidazol-1-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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