CID 72209

2,5'-anhydro-3'-azido-2',3'-dideoxy-5-bromouridine

Structural Information

Molecular Formula
C9H8BrN5O3
SMILES
C1[C@@H]([C@H]2COC3=NC(=O)C(=CN3[C@@H]1O2)Br)N=[N+]=[N-]
InChI
InChI=1S/C9H8BrN5O3/c10-4-2-15-7-1-5(13-14-11)6(18-7)3-17-9(15)12-8(4)16/h2,5-7H,1,3H2/t5-,6+,7+/m0/s1
InChIKey
IKQPIXUQCPAHRU-RRKCRQDMSA-N
Compound name
(1R,10S,11S)-11-azido-4-bromo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.98105 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.98833 161.0
[M+Na]+ 335.97027 171.6
[M-H]- 311.97377 170.1
[M+NH4]+ 331.01487 177.6
[M+K]+ 351.94421 162.6
[M+H-H2O]+ 295.97831 161.9
[M+HCOO]- 357.97925 181.0
[M+CH3COO]- 371.99490 204.2
[M+Na-2H]- 333.95572 172.8
[M]+ 312.98050 176.7
[M]- 312.98160 176.7
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

No patent data available for this compound.