PubChemLite - 380569-20-0 (C23H26N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(O1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C23H26N2O5/c1-16-8-9-18(30-16)20-19(21(26)17-6-3-2-4-7-17)22(27)23(28)25(20)11-5-10-24-12-14-29-15-13-24/h2-4,6-9,20,26H,5,10-15H2,1H3/b21-19+

InChIKey

LKRLXCLBXUQUEA-XUTLUUPISA-N

Compound name

(4E)-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)-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]+	411.19145	198.9
[M+Na]+	433.17339	202.9
[M-H]-	409.17689	208.6
[M+NH4]+	428.21799	206.0
[M+K]+	449.14733	200.0
[M+H-H2O]+	393.18143	190.0
[M+HCOO]-	455.18237	211.6
[M+CH3COO]-	469.19802	220.6
[M+Na-2H]-	431.15884	192.5
[M]+	410.18362	197.1
[M]-	410.18472	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.19145

198.9

[M+Na]+

433.17339

202.9

[M-H]-

409.17689

208.6

[M+NH4]+

428.21799

206.0

[M+K]+

449.14733

200.0

[M+H-H2O]+

393.18143

190.0

[M+HCOO]-

455.18237

211.6

[M+CH3COO]-

469.19802

220.6

[M+Na-2H]-

431.15884

192.5

[M]+

410.18362

197.1

[M]-

410.18472

197.1

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

380569-20-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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