CID 54717554

Schembl13917593

Structural Information

Molecular Formula
C17H17F2N3O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C(=CC=C3)F)F)C
InChI
InChI=1S/C17H17F2N3O4/c1-17(2)16-21-12(13(23)15(25)22(16)6-7-26-17)14(24)20-8-9-4-3-5-10(18)11(9)19/h3-5,23H,6-8H2,1-2H3,(H,20,24)
InChIKey
GTAWJKRJZLZAFC-UHFFFAOYSA-N
Compound name
N-[(2,3-difluorophenyl)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

365.1187 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12598 183.8
[M+Na]+ 388.10792 193.8
[M-H]- 364.11142 186.3
[M+NH4]+ 383.15252 194.6
[M+K]+ 404.08186 190.0
[M+H-H2O]+ 348.11596 172.9
[M+HCOO]- 410.11690 197.7
[M+CH3COO]- 424.13255 217.2
[M+Na-2H]- 386.09337 186.6
[M]+ 365.11815 183.2
[M]- 365.11925 183.2
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

patents stripe