CID 15956273

2(1h)-pyrimidinone, 4-amino-1-[(2s)-tetrahydro-4,4-bis(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@H](OCC1(CO)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O4/c11-7-1-2-13(9(16)12-7)8-3-10(4-14,5-15)6-17-8/h1-2,8,14-15H,3-6H2,(H2,11,12,16)/t8-/m0/s1
InChIKey
IIQQEDWWTCWFOM-QMMMGPOBSA-N
Compound name
4-amino-1-[(2S)-4,4-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 150.5
[M+Na]+ 264.09548 158.6
[M-H]- 240.09898 152.7
[M+NH4]+ 259.14008 165.9
[M+K]+ 280.06942 156.6
[M+H-H2O]+ 224.10352 143.5
[M+HCOO]- 286.10446 168.9
[M+CH3COO]- 300.12011 186.4
[M+Na-2H]- 262.08093 154.7
[M]+ 241.10571 148.9
[M]- 241.10681 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.