CID 469090

6-((2r,5s)-4-azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-4,6-dihydro-3h, 8h-pyrimido[4,5-c][1,2]oxazin-7-one

Structural Information

Molecular Formula
C11H14N6O4
SMILES
C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H14N6O4/c12-16-14-7-3-9(21-8(7)5-18)17-4-6-1-2-20-15-10(6)13-11(17)19/h4,7-9,18H,1-3,5H2,(H,13,15,19)/t7-,8+,9+/m0/s1
InChIKey
PXIPTVHPWCIVTP-DJLDLDEBSA-N
Compound name
6-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10767 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 163.3
[M+Na]+ 317.09689 169.0
[M-H]- 293.10039 168.1
[M+NH4]+ 312.14149 173.0
[M+K]+ 333.07083 162.5
[M+H-H2O]+ 277.10493 158.0
[M+HCOO]- 339.10587 182.1
[M+CH3COO]- 353.12152 198.2
[M+Na-2H]- 315.08234 172.1
[M]+ 294.10712 158.3
[M]- 294.10822 158.3
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.