CID 3011250

1-[(2r,3r,6as)-3-hydroxy-6a-(hydroxymethyl)-3,3a,4,6-tetrahydro-2h-furo[3,4-b]furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3COC[C@@]3(O2)CO)O
InChI
InChI=1S/C12H16N2O6/c1-6-2-14(11(18)13-9(6)17)10-8(16)7-3-19-5-12(7,4-15)20-10/h2,7-8,10,15-16H,3-5H2,1H3,(H,13,17,18)/t7?,8-,10-,12+/m1/s1
InChIKey
BIKHZVNLKQQGDN-SLFKWXJCSA-N
Compound name
1-[(2R,3R,6aS)-3-hydroxy-6a-(hydroxymethyl)-3,3a,4,6-tetrahydro-2H-furo[3,4-b]furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10083 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 158.4
[M+Na]+ 307.09005 168.1
[M-H]- 283.09355 162.0
[M+NH4]+ 302.13465 173.8
[M+K]+ 323.06399 166.5
[M+H-H2O]+ 267.09809 153.7
[M+HCOO]- 329.09903 172.8
[M+CH3COO]- 343.11468 190.9
[M+Na-2H]- 305.07550 160.6
[M]+ 284.10028 159.6
[M]- 284.10138 159.6
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.