CID 5274349

6-amino-3-[(2r,4r)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-1,6-dihydropyrimidin-2-one

Structural Information

Molecular Formula
C11H17N3O3
SMILES
C1[C@H](C2CC2([C@@H]1O)CO)N3C=CC(NC3=O)N
InChI
InChI=1S/C11H17N3O3/c12-9-1-2-14(10(17)13-9)7-3-8(16)11(5-15)4-6(7)11/h1-2,6-9,15-16H,3-5,12H2,(H,13,17)/t6?,7-,8-,9?,11?/m1/s1
InChIKey
ORDREPJIBHLGRS-MRQLDERVSA-N
Compound name
6-amino-3-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 155.3
[M+Na]+ 262.11622 164.7
[M-H]- 238.11972 156.8
[M+NH4]+ 257.16082 168.1
[M+K]+ 278.09016 158.7
[M+H-H2O]+ 222.12426 150.3
[M+HCOO]- 284.12520 169.4
[M+CH3COO]- 298.14085 189.9
[M+Na-2H]- 260.10167 157.1
[M]+ 239.12645 152.5
[M]- 239.12755 152.5
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.