CID 54717360

Schembl13917324

Structural Information

Molecular Formula
C15H14FN3O4
SMILES
C1COCC2=NC(=C(C(=O)N21)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)7-17-14(21)12-13(20)15(22)19-5-6-23-8-11(19)18-12/h1-4,20H,5-8H2,(H,17,21)
InChIKey
ACXMQEPBJTXGCD-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)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

10
Patents

319.09683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10411 170.9
[M+Na]+ 342.08605 178.9
[M-H]- 318.08955 174.1
[M+NH4]+ 337.13065 181.0
[M+K]+ 358.05999 175.4
[M+H-H2O]+ 302.09409 160.4
[M+HCOO]- 364.09503 186.7
[M+CH3COO]- 378.11068 206.4
[M+Na-2H]- 340.07150 175.7
[M]+ 319.09628 169.5
[M]- 319.09738 169.5
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.