CID 6481645

4-amino-1-[(3s,4s)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H17N3O3
SMILES
C1[C@@H]([C@H](CC1N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C11H17N3O3/c12-10-1-2-14(11(17)13-10)9-3-7(5-15)8(4-9)6-16/h1-2,7-9,15-16H,3-6H2,(H2,12,13,17)/t7-,8-/m1/s1
InChIKey
HEPOOHYYYXJRKY-HTQZYQBOSA-N
Compound name
4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 153.1
[M+Na]+ 262.11622 160.8
[M-H]- 238.11972 154.6
[M+NH4]+ 257.16082 168.2
[M+K]+ 278.09016 156.8
[M+H-H2O]+ 222.12426 145.5
[M+HCOO]- 284.12520 171.9
[M+CH3COO]- 298.14085 188.7
[M+Na-2H]- 260.10167 153.9
[M]+ 239.12645 149.8
[M]- 239.12755 149.8
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.