CID 6450921

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

Structural Information

Molecular Formula
C11H13N3O7
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)/C=C/C(=O)O)CO)O
InChI
InChI=1S/C11H13N3O7/c15-4-7-6(16)3-8(21-7)14-11(20)12-10(19)5(13-14)1-2-9(17)18/h1-2,6-8,15-16H,3-4H2,(H,17,18)(H,12,19,20)/b2-1+/t6-,7+,8+/m0/s1
InChIKey
YDTPLQVCRZJMIP-SXSRJLBYSA-N
Compound name
(E)-3-[2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07535 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08263 163.1
[M+Na]+ 322.06457 171.4
[M-H]- 298.06807 162.2
[M+NH4]+ 317.10917 171.9
[M+K]+ 338.03851 168.2
[M+H-H2O]+ 282.07261 155.5
[M+HCOO]- 344.07355 176.3
[M+CH3COO]- 358.08920 191.9
[M+Na-2H]- 320.05002 162.5
[M]+ 299.07480 162.3
[M]- 299.07590 162.3
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.