CID 6475366

(e)-n-(12-aminododecyl)-3-[1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enamide

Structural Information

Molecular Formula
C24H38N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C24H38N4O5/c25-15-9-7-5-3-1-2-4-6-8-10-16-26-21(30)13-11-19-17-28(24(32)27-23(19)31)22-14-12-20(18-29)33-22/h11-14,17,20,22,29H,1-10,15-16,18,25H2,(H,26,30)(H,27,31,32)/b13-11+/t20-,22+/m1/s1
InChIKey
GJSVCUHRVCLCSU-FQHNMJOISA-N
Compound name
(E)-N-(12-aminododecyl)-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

462.2842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.29148 215.5
[M+Na]+ 485.27342 217.6
[M-H]- 461.27692 215.9
[M+NH4]+ 480.31802 219.4
[M+K]+ 501.24736 211.9
[M+H-H2O]+ 445.28146 205.0
[M+HCOO]- 507.28240 231.3
[M+CH3COO]- 521.29805 235.0
[M+Na-2H]- 483.25887 211.3
[M]+ 462.28365 217.9
[M]- 462.28475 217.9
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.