PubChemLite - Schembl13917219 (C23H27FN4O7)

Structural Information

Molecular Formula

SMILES

CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)OCC(=O)N4CCOCC4)C

InChI

InChI=1S/C23H27FN4O7/c1-23(2)22-26-18(19(30)21(32)28(22)7-10-35-23)20(31)25-12-14-3-4-15(24)11-16(14)34-13-17(29)27-5-8-33-9-6-27/h3-4,11,30H,5-10,12-13H2,1-2H3,(H,25,31)

InChIKey

OGGYGPSZEDOOIE-UHFFFAOYSA-N

Compound name

N-[[4-fluoro-2-(2-morpholin-4-yl-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]+	491.19365	217.1
[M+Na]+	513.17559	221.8
[M-H]-	489.17909	221.5
[M+NH4]+	508.22019	218.5
[M+K]+	529.14953	220.6
[M+H-H2O]+	473.18363	203.9
[M+HCOO]-	535.18457	224.1
[M+CH3COO]-	549.20022	240.0
[M+Na-2H]-	511.16104	216.9
[M]+	490.18582	216.7
[M]-	490.18692	216.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.19365

217.1

[M+Na]+

513.17559

221.8

[M-H]-

489.17909

221.5

[M+NH4]+

508.22019

218.5

[M+K]+

529.14953

220.6

[M+H-H2O]+

473.18363

203.9

[M+HCOO]-

535.18457

224.1

[M+CH3COO]-

549.20022

240.0

[M+Na-2H]-

511.16104

216.9

[M]+

490.18582

216.7

[M]-

490.18692

216.7

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

Schembl13917219

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe