CID 453784

3'-amino-2',3'-dideoxy-5-decyloxymethyluridine

Structural Information

Molecular Formula
C20H35N3O5
SMILES
CCCCCCCCCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N
InChI
InChI=1S/C20H35N3O5/c1-2-3-4-5-6-7-8-9-10-27-14-15-12-23(20(26)22-19(15)25)18-11-16(21)17(13-24)28-18/h12,16-18,24H,2-11,13-14,21H2,1H3,(H,22,25,26)/t16-,17+,18+/m0/s1
InChIKey
JTBMKMBHOMMUPH-RCCFBDPRSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(decoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.25766 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.26494 198.1
[M+Na]+ 420.24688 202.5
[M-H]- 396.25038 198.9
[M+NH4]+ 415.29148 205.4
[M+K]+ 436.22082 198.2
[M+H-H2O]+ 380.25492 188.7
[M+HCOO]- 442.25586 213.3
[M+CH3COO]- 456.27151 221.1
[M+Na-2H]- 418.23233 194.5
[M]+ 397.25711 201.0
[M]- 397.25821 201.0
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.