CID 487685

222737-85-1

Structural Information

Molecular Formula
C11H14IN5O4
SMILES
CCOC1=NC(=O)C(=CN1[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O)I
InChI
InChI=1S/C11H14IN5O4/c1-2-20-11-15-10(19)6(12)5-17(11)9-3-7(18)8(21-9)4-14-16-13/h5,7-9,18H,2-4H2,1H3/t7-,8+,9+/m0/s1
InChIKey
ACIGNMOZFFURRP-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-2-ethoxy-5-iodopyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.00906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.01634 181.1
[M+Na]+ 429.99828 181.5
[M-H]- 406.00178 180.7
[M+NH4]+ 425.04288 188.9
[M+K]+ 445.97222 181.1
[M+H-H2O]+ 390.00632 172.6
[M+HCOO]- 452.00726 201.0
[M+CH3COO]- 466.02291 210.1
[M+Na-2H]- 427.98373 175.1
[M]+ 407.00851 178.4
[M]- 407.00961 178.4
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.