CID 54717564

Schembl13917608

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CC1=C(C=C(C=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O)F
InChI
InChI=1S/C18H20FN3O4/c1-10-4-5-11(8-12(10)19)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)
InChIKey
NUTGKTRCASADCD-UHFFFAOYSA-N
Compound name
N-[(3-fluoro-4-methylphenyl)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

361.1438 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 185.0
[M+Na]+ 384.13302 194.5
[M-H]- 360.13652 188.7
[M+NH4]+ 379.17762 196.0
[M+K]+ 400.10696 191.0
[M+H-H2O]+ 344.14106 174.9
[M+HCOO]- 406.14200 199.7
[M+CH3COO]- 420.15765 217.5
[M+Na-2H]- 382.11847 188.0
[M]+ 361.14325 185.9
[M]- 361.14435 185.9
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.