PubChemLite - Sha 68 (C26H24FN3O3)

Structural Information

Molecular Formula

SMILES

C1CN2C(CN1C(=O)NCC3=CC=C(C=C3)F)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)

InChIKey

SFRQIPRTNYHJHP-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

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]+	446.18746	209.3
[M+Na]+	468.16940	222.2
[M+NH4]+	463.21400	216.7
[M+K]+	484.14334	214.1
[M-H]-	444.17290	216.3
[M+Na-2H]-	466.15485	217.6
[M]+	445.17963	213.1
[M]-	445.18073	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.18746

209.3

[M+Na]+

468.16940

222.2

[M+NH4]+

463.21400

216.7

[M+K]+

484.14334

214.1

[M-H]-

444.17290

216.3

[M+Na-2H]-

466.15485

217.6

[M]+

445.17963

213.1

[M]-

445.18073

213.1

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

Sha 68

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe