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]+ 290.05382 160.4
[M+Na]+ 312.03576 170.8
[M-H]- 288.03926 160.7
[M+NH4]+ 307.08036 171.6
[M+K]+ 328.00970 165.7
[M+H-H2O]+ 272.04380 153.3
[M+HCOO]- 334.04474 171.2
[M+CH3COO]- 348.06039 189.6
[M+Na-2H]- 310.02121 161.0
[M]+ 289.04599 161.3
[M]- 289.04709 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.