CID 134813774

2(1h)-pyrimidinone, 4-amino-1-tetrahydro-6-(hydroxymethyl)-2-phenylfuro3,4-d-1,3-dioxol-4-yl-

Structural Information

Molecular Formula
C16H13N3O5
SMILES
C1=CC=C(C=C1)C2OC3=C(OC(=C3O2)N4C=CC(=NC4=O)N)CO
InChI
InChI=1S/C16H13N3O5/c17-11-6-7-19(16(21)18-11)14-13-12(10(8-20)22-14)23-15(24-13)9-4-2-1-3-5-9/h1-7,15,20H,8H2,(H2,17,18,21)
InChIKey
RPMTXMMDJHDRDK-UHFFFAOYSA-N
Compound name
4-amino-1-[6-(hydroxymethyl)-2-phenylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0855 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09278 172.5
[M+Na]+ 350.07472 186.1
[M+NH4]+ 345.11932 178.4
[M+K]+ 366.04866 186.0
[M-H]- 326.07822 180.1
[M+Na-2H]- 348.06017 176.9
[M]+ 327.08495 176.5
[M]- 327.08605 176.5
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.