CID 6475364

(e)-n-(8-aminooctyl)-3-[1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enamide

Structural Information

Molecular Formula
C20H30N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCCCCCCCN
InChI
InChI=1S/C20H30N4O5/c21-11-5-3-1-2-4-6-12-22-17(26)9-7-15-13-24(20(28)23-19(15)27)18-10-8-16(14-25)29-18/h7-10,13,16,18,25H,1-6,11-12,14,21H2,(H,22,26)(H,23,27,28)/b9-7+/t16-,18+/m1/s1
InChIKey
LYHHPAWLVCFXLC-MQZONAICSA-N
Compound name
(E)-N-(8-aminooctyl)-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

406.22162 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22890 198.9
[M+Na]+ 429.21084 202.8
[M-H]- 405.21434 200.0
[M+NH4]+ 424.25544 205.1
[M+K]+ 445.18478 197.8
[M+H-H2O]+ 389.21888 189.0
[M+HCOO]- 451.21982 216.0
[M+CH3COO]- 465.23547 223.2
[M+Na-2H]- 427.19629 196.4
[M]+ 406.22107 199.9
[M]- 406.22217 199.9
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.