CID 54717383

Schembl13917354

Structural Information

Molecular Formula
C16H16F2N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=N3)F)F)C
InChI
InChI=1S/C16H16F2N4O4/c1-16(2)15-21-11(12(23)14(25)22(15)3-4-26-16)13(24)20-7-10-9(18)5-8(17)6-19-10/h5-6,23H,3-4,7H2,1-2H3,(H,20,24)
InChIKey
JYMCHEATGLDLKY-UHFFFAOYSA-N
Compound name
N-[(3,5-difluoropyridin-2-yl)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

366.11395 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12123 184.5
[M+Na]+ 389.10317 194.9
[M-H]- 365.10667 185.8
[M+NH4]+ 384.14777 193.8
[M+K]+ 405.07711 190.9
[M+H-H2O]+ 349.11121 173.0
[M+HCOO]- 411.11215 197.4
[M+CH3COO]- 425.12780 217.1
[M+Na-2H]- 387.08862 187.8
[M]+ 366.11340 184.1
[M]- 366.11450 184.1
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