CID 54717370

Schembl13917336

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CCC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)F)C
InChI
InChI=1S/C18H20FN3O4/c1-3-13-16-21-14(15(23)18(25)22(16)6-7-26-13)17(24)20-9-11-4-5-12(19)10(2)8-11/h4-5,8,13,23H,3,6-7,9H2,1-2H3,(H,20,24)
InChIKey
LLSLJGPSPFWCRL-UHFFFAOYSA-N
Compound name
9-ethyl-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

9
Patents

361.1438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 186.3
[M+Na]+ 384.13302 194.7
[M-H]- 360.13652 189.6
[M+NH4]+ 379.17762 195.2
[M+K]+ 400.10696 190.7
[M+H-H2O]+ 344.14106 175.6
[M+HCOO]- 406.14200 200.9
[M+CH3COO]- 420.15765 218.0
[M+Na-2H]- 382.11847 187.9
[M]+ 361.14325 186.7
[M]- 361.14435 186.7
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.