PubChemLite - 488853-38-9 (C27H32N2O5)

Structural Information

Molecular Formula

SMILES

CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN4CCOCC4

InChI

InChI=1S/C27H32N2O5/c1-4-19-5-7-20(8-6-19)24-23(25(30)22-10-9-21(33-3)17-18(22)2)26(31)27(32)29(24)12-11-28-13-15-34-16-14-28/h5-10,17,24,30H,4,11-16H2,1-3H3

InChIKey

FJBYVNDGVSSGER-UHFFFAOYSA-N

Compound name

5-(4-ethylphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)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]+	465.23838	215.8
[M+Na]+	487.22032	219.7
[M-H]-	463.22382	224.5
[M+NH4]+	482.26492	220.5
[M+K]+	503.19426	215.0
[M+H-H2O]+	447.22836	204.8
[M+HCOO]-	509.22930	227.1
[M+CH3COO]-	523.24495	234.8
[M+Na-2H]-	485.20577	208.3
[M]+	464.23055	214.5
[M]-	464.23165	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.23838

215.8

[M+Na]+

487.22032

219.7

[M-H]-

463.22382

224.5

[M+NH4]+

482.26492

220.5

[M+K]+

503.19426

215.0

[M+H-H2O]+

447.22836

204.8

[M+HCOO]-

509.22930

227.1

[M+CH3COO]-

523.24495

234.8

[M+Na-2H]-

485.20577

208.3

[M]+

464.23055

214.5

[M]-

464.23165

214.5

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

488853-38-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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