CID 488243

Chembl3142953

Structural Information

Molecular Formula
C12H17N5O6
SMILES
COC(CN=[N+]=[N-])C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H17N5O6/c1-22-8(3-14-16-13)6-4-17(12(21)15-11(6)20)10-2-7(19)9(5-18)23-10/h4,7-10,18-19H,2-3,5H2,1H3,(H,15,20,21)/t7-,8?,9+,10+/m0/s1
InChIKey
DHZFJNOERTYVQX-NKSXPTFNSA-N
Compound name
5-(2-azido-1-methoxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1179 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12518 169.9
[M+Na]+ 350.10712 175.7
[M-H]- 326.11062 174.1
[M+NH4]+ 345.15172 179.6
[M+K]+ 366.08106 169.0
[M+H-H2O]+ 310.11516 165.6
[M+HCOO]- 372.11610 191.8
[M+CH3COO]- 386.13175 202.7
[M+Na-2H]- 348.09257 175.2
[M]+ 327.11735 168.0
[M]- 327.11845 168.0
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.