PubChemLite - 615270-61-6 (C26H25N3O4)

Structural Information

Molecular Formula

SMILES

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H25N3O4/c1-2-17-33-21-11-9-20(10-12-21)24(30)22-23(19-7-4-3-5-8-19)29(26(32)25(22)31)15-6-14-28-16-13-27-18-28/h2-5,7-13,16,18,23,30H,1,6,14-15,17H2

InChIKey

SRHJQMSPAHQLST-UHFFFAOYSA-N

Compound name

4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-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]+	444.19178	209.6
[M+Na]+	466.17372	221.4
[M+NH4]+	461.21832	213.5
[M+K]+	482.14766	218.2
[M-H]-	442.17722	213.0
[M+Na-2H]-	464.15917	215.4
[M]+	443.18395	211.9
[M]-	443.18505	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.19178

209.6

[M+Na]+

466.17372

221.4

[M+NH4]+

461.21832

213.5

[M+K]+

482.14766

218.2

[M-H]-

442.17722

213.0

[M+Na-2H]-

464.15917

215.4

[M]+

443.18395

211.9

[M]-

443.18505

211.9

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

615270-61-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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