CID 3007133

58349-30-7

Structural Information

Molecular Formula
C9H10IN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CN=[N+]=[N-])O
InChI
InChI=1S/C9H10IN5O4/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
OPXZSYBBLPCQGG-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

378.97775 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.98503 171.4
[M+Na]+ 401.96697 172.5
[M-H]- 377.97047 170.1
[M+NH4]+ 397.01157 179.7
[M+K]+ 417.94091 171.1
[M+H-H2O]+ 361.97501 163.6
[M+HCOO]- 423.97595 190.7
[M+CH3COO]- 437.99160 201.2
[M+Na-2H]- 399.95242 166.0
[M]+ 378.97720 165.7
[M]- 378.97830 165.7
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

patents stripe