CID 460315

3'-n3-5me-n(6)meo-ddc

Structural Information

Molecular Formula
C11H16N6O4
SMILES
CC1=CN(C(=O)N=C1NOC)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H16N6O4/c1-6-4-17(11(19)13-10(6)15-20-2)9-3-7(14-16-12)8(5-18)21-9/h4,7-9,18H,3,5H2,1-2H3,(H,13,15,19)/t7-,8+,9+/m0/s1
InChIKey
DILOWPBAHGLHDE-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(methoxyamino)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1233 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 164.1
[M+Na]+ 319.11252 170.9
[M-H]- 295.11602 171.0
[M+NH4]+ 314.15712 176.4
[M+K]+ 335.08646 164.9
[M+H-H2O]+ 279.12056 159.2
[M+HCOO]- 341.12150 190.8
[M+CH3COO]- 355.13715 205.1
[M+Na-2H]- 317.09797 171.9
[M]+ 296.12275 163.4
[M]- 296.12385 163.4
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.