CID 54717376

Schembl13917346

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CC(C)C1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H20FN3O4/c1-10(2)15-16-21-13(14(23)18(25)22(16)7-8-26-15)17(24)20-9-11-3-5-12(19)6-4-11/h3-6,10,15,23H,7-9H2,1-2H3,(H,20,24)
InChIKey
ALIVJTGNAOTRST-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-propan-2-yl-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

361.1438 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 185.3
[M+Na]+ 384.13302 192.5
[M-H]- 360.13652 188.3
[M+NH4]+ 379.17762 193.8
[M+K]+ 400.10696 189.0
[M+H-H2O]+ 344.14106 174.6
[M+HCOO]- 406.14200 199.0
[M+CH3COO]- 420.15765 217.6
[M+Na-2H]- 382.11847 186.6
[M]+ 361.14325 184.7
[M]- 361.14435 184.7
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.