PubChemLite - Schembl4043576 (C20H21FN4O6)

Structural Information

Molecular Formula

SMILES

CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4CCOC4=O)C

InChI

InChI=1S/C20H21FN4O6/c1-20(2)18-23-14(15(26)17(28)25(18)6-8-31-20)16(27)22-10-11-3-4-12(21)9-13(11)24-5-7-30-19(24)29/h3-4,9,26H,5-8,10H2,1-2H3,(H,22,27)

InChIKey

IDNNBICIBQJMKQ-UHFFFAOYSA-N

Compound name

N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-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]+	433.15178	200.9
[M+Na]+	455.13372	209.3
[M-H]-	431.13722	207.0
[M+NH4]+	450.17832	207.4
[M+K]+	471.10766	206.9
[M+H-H2O]+	415.14176	190.2
[M+HCOO]-	477.14270	212.2
[M+CH3COO]-	491.15835	229.0
[M+Na-2H]-	453.11917	200.4
[M]+	432.14395	201.6
[M]-	432.14505	201.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.15178

200.9

[M+Na]+

455.13372

209.3

[M-H]-

431.13722

207.0

[M+NH4]+

450.17832

207.4

[M+K]+

471.10766

206.9

[M+H-H2O]+

415.14176

190.2

[M+HCOO]-

477.14270

212.2

[M+CH3COO]-

491.15835

229.0

[M+Na-2H]-

453.11917

200.4

[M]+

432.14395

201.6

[M]-

432.14505

201.6

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

Schembl4043576

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe