PubChemLite - Vrc355 (C23H24FN3O4)

Structural Information

Molecular Formula

SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)/C=C/C4=CC=CC=C4)F

InChI

InChI=1S/C23H24FN3O4/c24-20-14-18(7-8-21(20)26-10-12-30-13-11-26)27-16-19(31-23(27)29)15-25-22(28)9-6-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,25,28)/b9-6+/t19-/m0/s1

InChIKey

BBNQPJSJLXDYOO-AIADIJKESA-N

Compound name

(E)-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylprop-2-enamide

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]+	426.18236	203.4
[M+Na]+	448.16430	206.7
[M-H]-	424.16780	212.2
[M+NH4]+	443.20890	208.0
[M+K]+	464.13824	202.9
[M+H-H2O]+	408.17234	191.0
[M+HCOO]-	470.17328	216.5
[M+CH3COO]-	484.18893	210.3
[M+Na-2H]-	446.14975	200.5
[M]+	425.17453	198.8
[M]-	425.17563	198.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.18236

203.4

[M+Na]+

448.16430

206.7

[M-H]-

424.16780

212.2

[M+NH4]+

443.20890

208.0

[M+K]+

464.13824

202.9

[M+H-H2O]+

408.17234

191.0

[M+HCOO]-

470.17328

216.5

[M+CH3COO]-

484.18893

210.3

[M+Na-2H]-

446.14975

200.5

[M]+

425.17453

198.8

[M]-

425.17563

198.8

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

Vrc355

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe