CID 6476135

(e)-3-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]-n-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide

Structural Information

Molecular Formula
C20H25F3N4O6
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCCCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C20H25F3N4O6/c21-20(22,23)18(31)25-10-4-2-1-3-9-24-15(29)7-5-13-11-27(19(32)26-17(13)30)16-8-6-14(12-28)33-16/h5-8,11,14,16,28H,1-4,9-10,12H2,(H,24,29)(H,25,31)(H,26,30,32)/b7-5+/t14-,16+/m0/s1
InChIKey
FWHPUFBARDGGRL-ZCGHOXCVSA-N
Compound name
(E)-3-[1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.1726 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17988 207.6
[M+Na]+ 497.16182 211.8
[M-H]- 473.16532 205.6
[M+NH4]+ 492.20642 211.1
[M+K]+ 513.13576 207.3
[M+H-H2O]+ 457.16986 196.0
[M+HCOO]- 519.17080 220.0
[M+CH3COO]- 533.18645 233.2
[M+Na-2H]- 495.14727 205.1
[M]+ 474.17205 205.7
[M]- 474.17315 205.7
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.