CID 6450927

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

Structural Information

Molecular Formula
C10H12ClN3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)/C=C/Cl)CO)O
InChI
InChI=1S/C10H12ClN3O5/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
NGJTXSSNNPLVKV-SXSRJLBYSA-N
Compound name
6-[(E)-2-chloroethenyl]-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

289.04654 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.053816 160.4
[M+Na]+ 312.035758 170.8
[M-H]- 288.039264 160.7
[M+NH4]+ 307.080363 171.6
[M+K]+ 328.009698 165.7
[M+H-H2O]+ 272.043800 153.3
[M+HCOO]- 334.044741 171.2
[M+CH3COO]- 348.060391 189.6
[M+Na-2H]- 310.021206 161.0
[M]+ 289.04599142 161.3
[M]- 289.04708858 161.3
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.