CID 473650

4-amino-1-[4,5-bis(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H17N3O4
SMILES
C1C(C(COC1N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C11H17N3O4/c12-9-1-2-14(11(17)13-9)10-3-7(4-15)8(5-16)6-18-10/h1-2,7-8,10,15-16H,3-6H2,(H2,12,13,17)
InChIKey
MCSICIDKYFWWRW-UHFFFAOYSA-N
Compound name
4-amino-1-[4,5-bis(hydroxymethyl)oxan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 158.5
[M+Na]+ 278.11112 165.4
[M-H]- 254.11462 160.2
[M+NH4]+ 273.15572 169.6
[M+K]+ 294.08506 162.8
[M+H-H2O]+ 238.11916 150.0
[M+HCOO]- 300.12010 174.2
[M+CH3COO]- 314.13575 191.9
[M+Na-2H]- 276.09657 161.4
[M]+ 255.12135 155.1
[M]- 255.12245 155.1
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.