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]+ 242.113536 150.5
[M+Na]+ 264.095478 158.6
[M-H]- 240.098984 152.7
[M+NH4]+ 259.140083 165.9
[M+K]+ 280.069418 156.6
[M+H-H2O]+ 224.103520 143.5
[M+HCOO]- 286.104461 168.9
[M+CH3COO]- 300.120111 186.4
[M+Na-2H]- 262.080926 154.7
[M]+ 241.10571142 148.9
[M]- 241.10680858 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.