CID 487687

1-[5-(aminomethyl)-4-hydroxyoxolan-2-yl]-2-ethoxy-5-methylhydropyrimidin-4-one

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CCOC1=NC(=O)C(=CN1[C@H]2C[C@@H]([C@H](O2)CN)O)C
InChI
InChI=1S/C12H19N3O4/c1-3-18-12-14-11(17)7(2)6-15(12)10-4-8(16)9(5-13)19-10/h6,8-10,16H,3-5,13H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey
KKMYEQYCVHABFY-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-2-ethoxy-5-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13754 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 161.1
[M+Na]+ 292.12676 169.6
[M-H]- 268.13026 164.8
[M+NH4]+ 287.17136 174.7
[M+K]+ 308.10070 167.7
[M+H-H2O]+ 252.13480 153.2
[M+HCOO]- 314.13574 180.2
[M+CH3COO]- 328.15139 197.8
[M+Na-2H]- 290.11221 161.8
[M]+ 269.13699 162.5
[M]- 269.13809 162.5
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.