CID 6441858

5-propenyl-arau

Structural Information

Molecular Formula
C12H16N2O6
SMILES
C/C=C/C1=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,5H2,1H3,(H,13,18,19)/b3-2+/t7-,8-,9+,11-/m1/s1
InChIKey
VAALWQXPFZVPFE-BUHFYHPRSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10083 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 162.0
[M+Na]+ 307.09005 171.2
[M-H]- 283.09355 162.5
[M+NH4]+ 302.13465 173.4
[M+K]+ 323.06399 167.2
[M+H-H2O]+ 267.09809 155.3
[M+HCOO]- 329.09903 176.8
[M+CH3COO]- 343.11468 190.5
[M+Na-2H]- 305.07550 161.4
[M]+ 284.10028 161.4
[M]- 284.10138 161.4
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.