CID 5271264

Mmdcyd

Structural Information

Molecular Formula
C12H19N3O4
SMILES
COCC1=CN(C(=O)N=C1N)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C12H19N3O4/c1-19-6-8-4-15(12(18)14-11(8)13)9-2-7(5-16)10(17)3-9/h4,7,9-10,16-17H,2-3,5-6H2,1H3,(H2,13,14,18)/t7-,9-,10+/m1/s1
InChIKey
HIEFHPJNMNVQQO-QNSHHTMESA-N
Compound name
4-amino-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.13754 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 160.2
[M+Na]+ 292.12676 168.1
[M-H]- 268.13026 161.9
[M+NH4]+ 287.17136 174.3
[M+K]+ 308.10070 164.6
[M+H-H2O]+ 252.13480 152.5
[M+HCOO]- 314.13574 178.8
[M+CH3COO]- 328.15139 195.4
[M+Na-2H]- 290.11221 159.9
[M]+ 269.13699 159.1
[M]- 269.13809 159.1
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.