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 172.0
[M+Na]+ 350.07472 182.4
[M-H]- 326.07822 182.1
[M+NH4]+ 345.11932 182.8
[M+K]+ 366.04866 181.2
[M+H-H2O]+ 310.08276 164.8
[M+HCOO]- 372.08370 191.4
[M+CH3COO]- 386.09935 184.2
[M+Na-2H]- 348.06017 174.7
[M]+ 327.08495 176.2
[M]- 327.08605 176.2
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.