CID 3652569

Ns00054612

Structural Information

Molecular Formula
C14H18N2O7
SMILES
CC(=O)OCC1C2C(C(O1)N3C=CC(=O)NC3=O)OC(O2)(C)C
InChI
InChI=1S/C14H18N2O7/c1-7(17)20-6-8-10-11(23-14(2,3)22-10)12(21-8)16-5-4-9(18)15-13(16)19/h4-5,8,10-12H,6H2,1-3H3,(H,15,18,19)
InChIKey
MDLYKUIFEHJVJD-UHFFFAOYSA-N
Compound name
[4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1114 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.118676 168.1
[M+Na]+ 349.100618 177.8
[M-H]- 325.104124 174.7
[M+NH4]+ 344.145223 181.6
[M+K]+ 365.074558 178.8
[M+H-H2O]+ 309.108660 163.3
[M+HCOO]- 371.109601 183.2
[M+CH3COO]- 385.125251 203.7
[M+Na-2H]- 347.086066 169.7
[M]+ 326.11085142 174.1
[M]- 326.11194858 174.1
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.