CID 452223

2'-anhydro-3'-az-secoddu

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1[C@H](N2C=CC(=O)N=C2O1)O[C@@H](CN=[N+]=[N-])CO
InChI
InChI=1S/C9H11N5O4/c10-13-11-3-6(4-15)18-8-5-17-9-12-7(16)1-2-14(8)9/h1-2,6,8,15H,3-5H2/t6-,8+/m0/s1
InChIKey
UIKBKVGMMQDXEF-POYBYMJQSA-N
Compound name
(3R)-3-[(2S)-1-azido-3-hydroxypropan-2-yl]oxy-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0811 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 149.5
[M+Na]+ 276.07032 156.2
[M-H]- 252.07382 153.5
[M+NH4]+ 271.11492 164.4
[M+K]+ 292.04426 151.2
[M+H-H2O]+ 236.07836 145.5
[M+HCOO]- 298.07930 174.8
[M+CH3COO]- 312.09495 192.4
[M+Na-2H]- 274.05577 160.2
[M]+ 253.08055 149.8
[M]- 253.08165 149.8
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.