CID 54717377

Schembl13917345

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C(C=CC(=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)C(C)C)O)F
InChI
InChI=1S/C19H22FN3O4/c1-10(2)16-17-22-14(15(24)19(26)23(17)6-7-27-16)18(25)21-9-12-4-5-13(20)11(3)8-12/h4-5,8,10,16,24H,6-7,9H2,1-3H3,(H,21,25)
InChIKey
YKTMOPKCUVYEFB-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-3-methylphenyl)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

9
Patents

375.15942 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 190.5
[M+Na]+ 398.14864 198.2
[M-H]- 374.15214 193.7
[M+NH4]+ 393.19324 198.8
[M+K]+ 414.12258 194.6
[M+H-H2O]+ 358.15668 179.9
[M+HCOO]- 420.15762 203.8
[M+CH3COO]- 434.17327 222.0
[M+Na-2H]- 396.13409 190.5
[M]+ 375.15887 190.7
[M]- 375.15997 190.7
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.