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]+ 256.12918 156.8
[M+Na]+ 278.11112 164.9
[M-H]- 254.11462 156.3
[M+NH4]+ 273.15572 170.3
[M+K]+ 294.08506 162.4
[M+H-H2O]+ 238.11916 148.9
[M+HCOO]- 300.12010 177.2
[M+CH3COO]- 314.13575 195.1
[M+Na-2H]- 276.09657 159.5
[M]+ 255.12135 159.6
[M]- 255.12245 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.