PubChemLite - Schembl5015346 (C24H26FN7O6)

Structural Information

Molecular Formula

SMILES

CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4C=NC(=N4)C(=O)N5CCOCC5)C

InChI

InChI=1S/C24H26FN7O6/c1-24(2)23-28-17(18(33)21(35)31(23)7-10-38-24)20(34)26-12-14-3-4-15(25)11-16(14)32-13-27-19(29-32)22(36)30-5-8-37-9-6-30/h3-4,11,13,33H,5-10,12H2,1-2H3,(H,26,34)

InChIKey

QOIZCKSYIIKGTA-UHFFFAOYSA-N

Compound name

N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-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]+	528.20018	225.4
[M+Na]+	550.18212	231.5
[M-H]-	526.18562	230.4
[M+NH4]+	545.22672	222.9
[M+K]+	566.15606	228.0
[M+H-H2O]+	510.19016	211.2
[M+HCOO]-	572.19110	229.9
[M+CH3COO]-	586.20675	229.5
[M+Na-2H]-	548.16757	222.4
[M]+	527.19235	224.1
[M]-	527.19345	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.20018

225.4

[M+Na]+

550.18212

231.5

[M-H]-

526.18562

230.4

[M+NH4]+

545.22672

222.9

[M+K]+

566.15606

228.0

[M+H-H2O]+

510.19016

211.2

[M+HCOO]-

572.19110

229.9

[M+CH3COO]-

586.20675

229.5

[M+Na-2H]-

548.16757

222.4

[M]+

527.19235

224.1

[M]-

527.19345

224.1

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

Schembl5015346

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe