CID 469097

1-[(3ar,4r,6r,6ar)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(1-hydroxyethyl)-5-(hydroxymethyl)pyrimidin-2-one

Structural Information

Molecular Formula
C15H22N2O7
SMILES
CC(C1=NC(=O)N(C=C1CO)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C)O
InChI
InChI=1S/C15H22N2O7/c1-7(20)10-8(5-18)4-17(14(21)16-10)13-12-11(9(6-19)22-13)23-15(2,3)24-12/h4,7,9,11-13,18-20H,5-6H2,1-3H3/t7?,9-,11-,12-,13-/m1/s1
InChIKey
ZJQHEBLXEUEELP-UDQBZJNMSA-N
Compound name
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(1-hydroxyethyl)-5-(hydroxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1427 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14998 176.2
[M+Na]+ 365.13192 184.6
[M-H]- 341.13542 180.3
[M+NH4]+ 360.17652 187.9
[M+K]+ 381.10586 185.1
[M+H-H2O]+ 325.13996 171.8
[M+HCOO]- 387.14090 187.5
[M+CH3COO]- 401.15655 205.7
[M+Na-2H]- 363.11737 175.9
[M]+ 342.14215 180.9
[M]- 342.14325 180.9
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.