CID 454738

Rp67042

Structural Information

Molecular Formula
C10H14N6O4
SMILES
CC1=CN(C(=O)N(C1=O)N)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H14N6O4/c1-5-3-15(10(19)16(12)9(5)18)8-2-6(13-14-11)7(4-17)20-8/h3,6-8,17H,2,4,12H2,1H3/t6-,7+,8+/m0/s1
InChIKey
ZUYYCXQRGBSHGJ-XLPZGREQSA-N
Compound name
3-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10767 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 160.5
[M+Na]+ 305.09689 168.9
[M-H]- 281.10039 167.4
[M+NH4]+ 300.14149 173.3
[M+K]+ 321.07083 162.1
[M+H-H2O]+ 265.10493 156.1
[M+HCOO]- 327.10587 186.9
[M+CH3COO]- 341.12152 201.9
[M+Na-2H]- 303.08234 166.9
[M]+ 282.10712 158.1
[M]- 282.10822 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.