CID 6450920

(e)-5-(2-bromovinyl)-6-aza-2'-deoxyuridine

Structural Information

Molecular Formula
C10H12BrN3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)/C=C/Br)CO)O
InChI
InChI=1S/C10H12BrN3O5/c11-2-1-5-9(17)12-10(18)14(13-5)8-3-6(16)7(4-15)19-8/h1-2,6-8,15-16H,3-4H2,(H,12,17,18)/b2-1+/t6-,7+,8+/m0/s1
InChIKey
RNFMAGOTQSXOBA-SXSRJLBYSA-N
Compound name
6-[(E)-2-bromoethenyl]-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.99603 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00331 161.7
[M+Na]+ 355.98525 173.8
[M-H]- 331.98875 164.7
[M+NH4]+ 351.02985 174.2
[M+K]+ 371.95919 161.9
[M+H-H2O]+ 315.99329 160.2
[M+HCOO]- 377.99423 175.2
[M+CH3COO]- 392.00988 195.4
[M+Na-2H]- 353.97070 164.1
[M]+ 332.99548 179.3
[M]- 332.99658 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.