CID 6475365

(e)-n-(10-aminodecyl)-3-[1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enamide

Structural Information

Molecular Formula
C22H34N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCCCCCCCCCN
InChI
InChI=1S/C22H34N4O5/c23-13-7-5-3-1-2-4-6-8-14-24-19(28)11-9-17-15-26(22(30)25-21(17)29)20-12-10-18(16-27)31-20/h9-12,15,18,20,27H,1-8,13-14,16,23H2,(H,24,28)(H,25,29,30)/b11-9+/t18-,20+/m1/s1
InChIKey
IXACWSYWLSUBJM-UQAMUYQTSA-N
Compound name
(E)-N-(10-aminodecyl)-3-[1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.25293 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.26021 207.3
[M+Na]+ 457.24215 210.3
[M-H]- 433.24565 208.0
[M+NH4]+ 452.28675 212.3
[M+K]+ 473.21609 204.9
[M+H-H2O]+ 417.25019 197.0
[M+HCOO]- 479.25113 223.7
[M+CH3COO]- 493.26678 229.1
[M+Na-2H]- 455.22760 203.9
[M]+ 434.25238 208.9
[M]- 434.25348 208.9
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.