CID 3007131

58349-28-3

Structural Information

Molecular Formula
C9H10ClN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CN=[N+]=[N-])O
InChI
InChI=1S/C9H10ClN5O4/c10-4-3-15(9(18)13-8(4)17)7-1-5(16)6(19-7)2-12-14-11/h3,5-7,16H,1-2H2,(H,13,17,18)/t5-,6+,7+/m0/s1
InChIKey
NMSKSKMVOZYHDH-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-chloropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.04214 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04942 161.7
[M+Na]+ 310.03136 170.4
[M-H]- 286.03486 167.0
[M+NH4]+ 305.07596 174.7
[M+K]+ 326.00530 162.0
[M+H-H2O]+ 270.03940 158.5
[M+HCOO]- 332.04034 181.9
[M+CH3COO]- 346.05599 194.3
[M+Na-2H]- 308.01681 168.2
[M]+ 287.04159 160.4
[M]- 287.04269 160.4
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.