CID 511273

[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl n-(6-hydroxyhexyl)carbamate

Structural Information

Molecular Formula
C15H24N4O5S
SMILES
C1[C@H](O[C@H](S1)COC(=O)NCCCCCCO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C15H24N4O5S/c16-11-5-7-19(14(21)18-11)12-10-25-13(24-12)9-23-15(22)17-6-3-1-2-4-8-20/h5,7,12-13,20H,1-4,6,8-10H2,(H,17,22)(H2,16,18,21)/t12-,13+/m0/s1
InChIKey
MXQVIXOVEZOPHL-QWHCGFSZSA-N
Compound name
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl N-(6-hydroxyhexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.14673 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15401 184.6
[M+Na]+ 395.13595 188.9
[M-H]- 371.13945 187.0
[M+NH4]+ 390.18055 193.4
[M+K]+ 411.10989 186.0
[M+H-H2O]+ 355.14399 175.7
[M+HCOO]- 417.14493 198.3
[M+CH3COO]- 431.16058 214.3
[M+Na-2H]- 393.12140 183.0
[M]+ 372.14618 187.5
[M]- 372.14728 187.5
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.