CID 512672

5-(2,2-dibromovinyl)-6-aza-2'-deoxyuridine

Structural Information

Molecular Formula
C10H11Br2N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=C(Br)Br)CO)O
InChI
InChI=1S/C10H11Br2N3O5/c11-7(12)1-4-9(18)13-10(19)15(14-4)8-2-5(17)6(3-16)20-8/h1,5-6,8,16-17H,2-3H2,(H,13,18,19)/t5-,6+,8+/m0/s1
InChIKey
BSCKXMCBGLWAMV-SHYZEUOFSA-N
Compound name
6-(2,2-dibromoethenyl)-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

410.90656 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.91384 157.9
[M+Na]+ 433.89578 168.0
[M-H]- 409.89928 161.8
[M+NH4]+ 428.94038 169.1
[M+K]+ 449.86972 152.7
[M+H-H2O]+ 393.90382 164.7
[M+HCOO]- 455.90476 166.9
[M+CH3COO]- 469.92041 211.5
[M+Na-2H]- 431.88123 160.3
[M]+ 410.90601 190.5
[M]- 410.90711 190.5
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.