CID 478622

Methyl 2-[2-amino-1-(4-hydroxybutyl)-6-oxo-pyrimidin-4-yl]acetate

Structural Information

Molecular Formula
C11H17N3O4
SMILES
COC(=O)CC1=CC(=O)N(C(=N1)N)CCCCO
InChI
InChI=1S/C11H17N3O4/c1-18-10(17)7-8-6-9(16)14(11(12)13-8)4-2-3-5-15/h6,15H,2-5,7H2,1H3,(H2,12,13)
InChIKey
IRXKNSXYQDMGLA-UHFFFAOYSA-N
Compound name
methyl 2-[2-amino-1-(4-hydroxybutyl)-6-oxopyrimidin-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 156.8
[M+Na]+ 278.111118 164.9
[M-H]- 254.114624 156.3
[M+NH4]+ 273.155723 170.3
[M+K]+ 294.085058 162.4
[M+H-H2O]+ 238.119160 148.9
[M+HCOO]- 300.120101 177.2
[M+CH3COO]- 314.135751 195.1
[M+Na-2H]- 276.096566 159.5
[M]+ 255.12135142 159.6
[M]- 255.12244858 159.6
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.