CID 54717423

Schembl13917403

Structural Information

Molecular Formula
C23H23FN4O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)C4=C(N=CC=C4)OC)C
InChI
InChI=1S/C23H23FN4O5/c1-23(2)22-27-17(18(29)21(31)28(22)9-10-33-23)19(30)26-12-13-6-7-14(24)11-16(13)15-5-4-8-25-20(15)32-3/h4-8,11,29H,9-10,12H2,1-3H3,(H,26,30)
InChIKey
FAYGNRUGMPUFIQ-UHFFFAOYSA-N
Compound name
N-[[4-fluoro-2-(2-methoxypyridin-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

compound 2d structure
1
Annotation Hits

0
References

9
Patents

454.16525 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17253 211.0
[M+Na]+ 477.15447 219.9
[M-H]- 453.15797 216.4
[M+NH4]+ 472.19907 216.1
[M+K]+ 493.12841 215.6
[M+H-H2O]+ 437.16251 197.8
[M+HCOO]- 499.16345 223.7
[M+CH3COO]- 513.17910 235.0
[M+Na-2H]- 475.13992 213.0
[M]+ 454.16470 213.0
[M]- 454.16580 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.