PubChemLite - Schembl13917414 (C20H23FN4O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H23FN4O6/c1-20(2)19-24-15(16(27)18(29)25(19)6-7-31-20)17(28)23-9-11-4-5-12(21)8-13(11)30-10-14(26)22-3/h4-5,8,27H,6-7,9-10H2,1-3H3,(H,22,26)(H,23,28)

InChIKey

WEJFMLUOPORGPW-UHFFFAOYSA-N

Compound name

N-[[4-fluoro-2-[2-(methylamino)-2-oxoethoxy]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]+	435.16744	201.0
[M+Na]+	457.14938	208.1
[M-H]-	433.15288	204.3
[M+NH4]+	452.19398	208.2
[M+K]+	473.12332	206.1
[M+H-H2O]+	417.15742	190.3
[M+HCOO]-	479.15836	215.5
[M+CH3COO]-	493.17401	233.4
[M+Na-2H]-	455.13483	203.2
[M]+	434.15961	203.4
[M]-	434.16071	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.16744

201.0

[M+Na]+

457.14938

208.1

[M-H]-

433.15288

204.3

[M+NH4]+

452.19398

208.2

[M+K]+

473.12332

206.1

[M+H-H2O]+

417.15742

190.3

[M+HCOO]-

479.15836

215.5

[M+CH3COO]-

493.17401

233.4

[M+Na-2H]-

455.13483

203.2

[M]+

434.15961

203.4

[M]-

434.16071

203.4

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

Schembl13917414

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe