CID 479254

2',3'-didehydro-2',3'-dideoxy-5-[n-(8-trifluoroacetylaminooctyl)aminomethyl]-uridine

Structural Information

Molecular Formula
C20H29F3N4O5
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C20H29F3N4O5/c21-20(22,23)18(30)25-10-6-4-2-1-3-5-9-24-11-14-12-27(19(31)26-17(14)29)16-8-7-15(13-28)32-16/h7-8,12,15-16,24,28H,1-6,9-11,13H2,(H,25,30)(H,26,29,31)/t15-,16+/m0/s1
InChIKey
KOMAKLQSGTYEIC-JKSUJKDBSA-N
Compound name
2,2,2-trifluoro-N-[8-[[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]methylamino]octyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.209 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21628 206.7
[M+Na]+ 485.19822 210.8
[M-H]- 461.20172 204.5
[M+NH4]+ 480.24282 210.9
[M+K]+ 501.17216 206.0
[M+H-H2O]+ 445.20626 194.8
[M+HCOO]- 507.20720 219.5
[M+CH3COO]- 521.22285 232.6
[M+Na-2H]- 483.18367 205.0
[M]+ 462.20845 205.6
[M]- 462.20955 205.6
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.