CID 5271270

3,4-etheno-mmdcyd

Structural Information

Molecular Formula
C14H19N3O4
SMILES
COCC1=CN(C(=O)N2C1=NC=C2)[C@@H]3C[C@@H]([C@H](C3)O)CO
InChI
InChI=1S/C14H19N3O4/c1-21-8-10-6-17(11-4-9(7-18)12(19)5-11)14(20)16-3-2-15-13(10)16/h2-3,6,9,11-12,18-19H,4-5,7-8H2,1H3/t9-,11-,12+/m1/s1
InChIKey
GOJZMZHGZWGDBC-JLLWLGSASA-N
Compound name
6-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-8-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.13754 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 165.4
[M+Na]+ 316.12676 175.4
[M-H]- 292.13026 167.9
[M+NH4]+ 311.17136 180.6
[M+K]+ 332.10070 171.3
[M+H-H2O]+ 276.13480 157.9
[M+HCOO]- 338.13574 183.6
[M+CH3COO]- 352.15139 197.0
[M+Na-2H]- 314.11221 165.7
[M]+ 293.13699 168.4
[M]- 293.13809 168.4
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.