CID 453785

3'-amino-2',3'-dideoxy-5-[2-(n-butoxy)ethoxymethyl]uridine

Structural Information

Molecular Formula
C16H27N3O6
SMILES
CCCCOCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N
InChI
InChI=1S/C16H27N3O6/c1-2-3-4-23-5-6-24-10-11-8-19(16(22)18-15(11)21)14-7-12(17)13(9-20)25-14/h8,12-14,20H,2-7,9-10,17H2,1H3,(H,18,21,22)/t12-,13+,14+/m0/s1
InChIKey
BOEQDKBLKJTRAQ-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(2-butoxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.18997 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19725 182.6
[M+Na]+ 380.17919 188.5
[M-H]- 356.18269 184.1
[M+NH4]+ 375.22379 191.4
[M+K]+ 396.15313 185.7
[M+H-H2O]+ 340.18723 173.8
[M+HCOO]- 402.18817 199.3
[M+CH3COO]- 416.20382 211.6
[M+Na-2H]- 378.16464 181.3
[M]+ 357.18942 185.6
[M]- 357.19052 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.