CID 3007132

58349-29-4

Structural Information

Molecular Formula
C9H10BrN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CN=[N+]=[N-])O
InChI
InChI=1S/C9H10BrN5O4/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
ZJNGPEBPVORNBM-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.9916 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99888 161.5
[M+Na]+ 353.98082 172.4
[M-H]- 329.98432 169.4
[M+NH4]+ 349.02542 175.8
[M+K]+ 369.95476 156.6
[M+H-H2O]+ 313.98886 162.4
[M+HCOO]- 375.98980 183.8
[M+CH3COO]- 390.00545 199.8
[M+Na-2H]- 351.96627 169.7
[M]+ 330.99105 177.5
[M]- 330.99215 177.5
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.