CID 135471359

Methyl 2-[2-(4-hydroxybutylamino)-6-oxo-1h-pyrimidin-4-yl]acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 156.7
[M+Na]+ 278.11112 163.4
[M-H]- 254.11462 154.9
[M+NH4]+ 273.15572 169.4
[M+K]+ 294.08506 160.3
[M+H-H2O]+ 238.11916 148.7
[M+HCOO]- 300.12010 176.3
[M+CH3COO]- 314.13575 192.0
[M+Na-2H]- 276.09657 160.7
[M]+ 255.12135 158.2
[M]- 255.12245 158.2
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.