CID 3006035

4-amino-1-[(3s,4r)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H17N3O4
SMILES
CO[C@H](CO)[C@H](CCN1C=CC(=NC1=O)N)O
InChI
InChI=1S/C10H17N3O4/c1-17-8(6-14)7(15)2-4-13-5-3-9(11)12-10(13)16/h3,5,7-8,14-15H,2,4,6H2,1H3,(H2,11,12,16)/t7-,8+/m0/s1
InChIKey
REXGHTVJFCRRSR-JGVFFNPUSA-N
Compound name
4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxypentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.1219 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12918 153.9
[M+Na]+ 266.11112 160.5
[M-H]- 242.11462 151.9
[M+NH4]+ 261.15572 166.8
[M+K]+ 282.08506 158.5
[M+H-H2O]+ 226.11916 146.2
[M+HCOO]- 288.12010 172.0
[M+CH3COO]- 302.13575 190.9
[M+Na-2H]- 264.09657 156.2
[M]+ 243.12135 154.2
[M]- 243.12245 154.2
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.