CID 488248

183901-65-7

Structural Information

Molecular Formula
C11H14BrN5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(CBr)N=[N+]=[N-])CO)O
InChI
InChI=1S/C11H14BrN5O5/c12-2-6(15-16-13)5-3-17(11(21)14-10(5)20)9-1-7(19)8(4-18)22-9/h3,6-9,18-19H,1-2,4H2,(H,14,20,21)/t6?,7-,8+,9+/m0/s1
InChIKey
MFDQNNLJVBCWOC-GSLILNRNSA-N
Compound name
5-(1-azido-2-bromoethyl)-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

3
References

0
Patents

375.01782 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02510 172.7
[M+Na]+ 398.00704 181.5
[M-H]- 374.01054 179.0
[M+NH4]+ 393.05164 184.3
[M+K]+ 413.98098 165.6
[M+H-H2O]+ 358.01508 173.1
[M+HCOO]- 420.01602 192.0
[M+CH3COO]- 434.03167 206.1
[M+Na-2H]- 395.99249 178.6
[M]+ 375.01727 188.1
[M]- 375.01837 188.1
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.