CID 496568

1-(3,3a,5-trihydroxy-4-methyl-3,4,6,6a-tetrahydro-2h-furo[2,3-c]pyrrol-2-yl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15N3O6
SMILES
CC1C2(C(CN1O)OC(C2O)N3C=CC(=O)NC3=O)O
InChI
InChI=1S/C11H15N3O6/c1-5-11(18)6(4-14(5)19)20-9(8(11)16)13-3-2-7(15)12-10(13)17/h2-3,5-6,8-9,16,18-19H,4H2,1H3,(H,12,15,17)
InChIKey
RCFNXQCLEHSDFG-UHFFFAOYSA-N
Compound name
1-(3,3a,5-trihydroxy-4-methyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrol-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0961 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10338 159.5
[M+Na]+ 308.08532 169.8
[M-H]- 284.08882 160.3
[M+NH4]+ 303.12992 174.2
[M+K]+ 324.05926 166.8
[M+H-H2O]+ 268.09336 154.3
[M+HCOO]- 330.09430 172.3
[M+CH3COO]- 344.10995 189.9
[M+Na-2H]- 306.07077 160.2
[M]+ 285.09555 158.8
[M]- 285.09665 158.8
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.