CID 496796

Nsc699337

Structural Information

Molecular Formula
C12H17N3O6
SMILES
C[C@@H]1[C@]2([C@@H](CN1O)O[C@H](C2O)N3C=C(C(=O)NC3=O)C)O
InChI
InChI=1S/C12H17N3O6/c1-5-3-14(11(18)13-9(5)17)10-8(16)12(19)6(2)15(20)4-7(12)21-10/h3,6-8,10,16,19-20H,4H2,1-2H3,(H,13,17,18)/t6-,7-,8?,10-,12-/m1/s1
InChIKey
ZWZVSTYFCZKHGN-WCSRNTLBSA-N
Compound name
1-[(2R,3aS,4R,6aR)-3,3a,5-trihydroxy-4-methyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrol-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11172 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11900 164.1
[M+Na]+ 322.10094 174.8
[M-H]- 298.10444 165.1
[M+NH4]+ 317.14554 178.5
[M+K]+ 338.07488 171.6
[M+H-H2O]+ 282.10898 159.1
[M+HCOO]- 344.10992 176.5
[M+CH3COO]- 358.12557 194.3
[M+Na-2H]- 320.08639 163.7
[M]+ 299.11117 164.2
[M]- 299.11227 164.2
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.