CID 3007779

5-propenyl-ara-u

Structural Information

Molecular Formula
C12H16N2O6
SMILES
C=CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H16N2O6/c1-2-3-6-4-14(12(19)13-10(6)18)11-9(17)8(16)7(5-15)20-11/h2,4,7-9,11,15-17H,1,3,5H2,(H,13,18,19)/t7-,8-,9+,11-/m1/s1
InChIKey
VHTXRUOQNZDVPO-SDNRWEOFSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10083 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 161.6
[M+Na]+ 307.09005 170.7
[M-H]- 283.09355 162.1
[M+NH4]+ 302.13465 173.0
[M+K]+ 323.06399 166.8
[M+H-H2O]+ 267.09809 154.9
[M+HCOO]- 329.09903 176.4
[M+CH3COO]- 343.11468 191.2
[M+Na-2H]- 305.07550 161.0
[M]+ 284.10028 161.1
[M]- 284.10138 161.1
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.