CID 54717361

Schembl13917325

Structural Information

Molecular Formula
C16H16FN3O4
SMILES
CC1=C(C=CC(=C1)CNC(=O)C2=C(C(=O)N3CCOCC3=N2)O)F
InChI
InChI=1S/C16H16FN3O4/c1-9-6-10(2-3-11(9)17)7-18-15(22)13-14(21)16(23)20-4-5-24-8-12(20)19-13/h2-3,6,21H,4-5,7-8H2,1H3,(H,18,22)
InChIKey
VFBAZRVXEADRRF-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

333.1125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11978 176.4
[M+Na]+ 356.10172 184.8
[M-H]- 332.10522 179.7
[M+NH4]+ 351.14632 186.2
[M+K]+ 372.07566 181.2
[M+H-H2O]+ 316.10976 165.9
[M+HCOO]- 378.11070 191.8
[M+CH3COO]- 392.12635 210.7
[M+Na-2H]- 354.08717 179.9
[M]+ 333.11195 175.7
[M]- 333.11305 175.7
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.