CID 479256

2',3'-didehydro-2',3-dideoxy-5-[n-(12-trifluoroacetylaminodecyl)aminomethyl]-uridine

Structural Information

Molecular Formula
C24H37F3N4O5
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCCCCCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C24H37F3N4O5/c25-24(26,27)22(34)29-14-10-8-6-4-2-1-3-5-7-9-13-28-15-18-16-31(23(35)30-21(18)33)20-12-11-19(17-32)36-20/h11-12,16,19-20,28,32H,1-10,13-15,17H2,(H,29,34)(H,30,33,35)/t19-,20+/m0/s1
InChIKey
KKZWCYTUFGLRRR-VQTJNVASSA-N
Compound name
2,2,2-trifluoro-N-[12-[[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]methylamino]dodecyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

518.2716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.27888 223.7
[M+Na]+ 541.26082 225.9
[M-H]- 517.26432 220.6
[M+NH4]+ 536.30542 225.5
[M+K]+ 557.23476 220.4
[M+H-H2O]+ 501.26886 211.0
[M+HCOO]- 563.26980 235.1
[M+CH3COO]- 577.28545 244.2
[M+Na-2H]- 539.24627 220.1
[M]+ 518.27105 223.9
[M]- 518.27215 223.9
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.