CID 479255

2',3'-didehydro-2',3'-dideoxy-5-[n-(10-trifluoroacetylaminodecyl)aminomethyl]-uridine

Structural Information

Molecular Formula
C22H33F3N4O5
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCCCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C22H33F3N4O5/c23-22(24,25)20(32)27-12-8-6-4-2-1-3-5-7-11-26-13-16-14-29(21(33)28-19(16)31)18-10-9-17(15-30)34-18/h9-10,14,17-18,26,30H,1-8,11-13,15H2,(H,27,32)(H,28,31,33)/t17-,18+/m0/s1
InChIKey
FXHIPZVBHNDZEU-ZWKOTPCHSA-N
Compound name
2,2,2-trifluoro-N-[10-[[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]methylamino]decyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.2403 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.24758 215.2
[M+Na]+ 513.22952 218.4
[M-H]- 489.23302 212.6
[M+NH4]+ 508.27412 218.2
[M+K]+ 529.20346 213.3
[M+H-H2O]+ 473.23756 203.0
[M+HCOO]- 535.23850 227.3
[M+CH3COO]- 549.25415 238.4
[M+Na-2H]- 511.21497 212.6
[M]+ 490.23975 214.8
[M]- 490.24085 214.8
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.