CID 451861

Uridine, 5-bromo-2',3'-dideoxy-

Structural Information

Molecular Formula
C9H11BrN2O4
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C9H11BrN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m0/s1
InChIKey
MREZUWMZVPBIEE-CAHLUQPWSA-N
Compound name
5-bromo-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

289.99023 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99751 152.3
[M+Na]+ 312.97945 164.6
[M-H]- 288.98295 157.7
[M+NH4]+ 308.02405 168.4
[M+K]+ 328.95339 153.8
[M+H-H2O]+ 272.98749 151.5
[M+HCOO]- 334.98843 168.6
[M+CH3COO]- 349.00408 189.8
[M+Na-2H]- 310.96490 156.4
[M]+ 289.98968 170.0
[M]- 289.99078 170.0
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