PubChemLite - 432000-33-4 (C27H31FN2O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C27H31FN2O5/c1-3-35-22-10-7-20(17-18(22)2)25(31)23-24(19-5-8-21(28)9-6-19)30(27(33)26(23)32)12-4-11-29-13-15-34-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3

InChIKey

VOEWOONCNPHZKM-UHFFFAOYSA-N

Compound name

4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-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]+	483.22898	219.4
[M+Na]+	505.21092	223.3
[M-H]-	481.21442	226.6
[M+NH4]+	500.25552	223.2
[M+K]+	521.18486	218.1
[M+H-H2O]+	465.21896	207.3
[M+HCOO]-	527.21990	229.5
[M+CH3COO]-	541.23555	237.3
[M+Na-2H]-	503.19637	211.2
[M]+	482.22115	217.0
[M]-	482.22225	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.22898

219.4

[M+Na]+

505.21092

223.3

[M-H]-

481.21442

226.6

[M+NH4]+

500.25552

223.2

[M+K]+

521.18486

218.1

[M+H-H2O]+

465.21896

207.3

[M+HCOO]-

527.21990

229.5

[M+CH3COO]-

541.23555

237.3

[M+Na-2H]-

503.19637

211.2

[M]+

482.22115

217.0

[M]-

482.22225

217.0

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

432000-33-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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