CID 54717393

Chembl4126686

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CC1=C(C=CC(=C1)F)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O
InChI
InChI=1S/C18H20FN3O4/c1-10-8-12(19)5-4-11(10)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
FUAAWFQZWQTORD-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-2-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

1
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

literature stripe

Patent stripe

patents stripe