CID 5481516

[(2s)-2-[(4-amino-2-oxo-pyrimidin-1-yl)methoxy]-2-sulfanyl-ethyl] butanoate

Structural Information

Molecular Formula
C11H17N3O4S
SMILES
CCCC(=O)OC[C@@H](OCN1C=CC(=NC1=O)N)S
InChI
InChI=1S/C11H17N3O4S/c1-2-3-9(15)17-6-10(19)18-7-14-5-4-8(12)13-11(14)16/h4-5,10,19H,2-3,6-7H2,1H3,(H2,12,13,16)/t10-/m0/s1
InChIKey
ZNNBIZBYZVQHQJ-JTQLQIEISA-N
Compound name
[(2S)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-2-sulfanylethyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09396 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.101236 162.8
[M+Na]+ 310.083178 169.9
[M-H]- 286.086684 163.3
[M+NH4]+ 305.127783 175.8
[M+K]+ 326.057118 167.5
[M+H-H2O]+ 270.091220 154.6
[M+HCOO]- 332.092161 178.4
[M+CH3COO]- 346.107811 200.7
[M+Na-2H]- 308.068626 162.9
[M]+ 287.09341142 168.5
[M]- 287.09450858 168.5
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.