CID 474883

N-(12-aminododecyl)-2-[1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]acetamide

Structural Information

Molecular Formula
C23H38N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CC(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C23H38N4O5/c24-13-9-7-5-3-1-2-4-6-8-10-14-25-20(29)15-18-16-27(23(31)26-22(18)30)21-12-11-19(17-28)32-21/h11-12,16,19,21,28H,1-10,13-15,17,24H2,(H,25,29)(H,26,30,31)/t19-,21+/m1/s1
InChIKey
VYVFDJZCDJFZEF-CTNGQTDRSA-N
Compound name
N-(12-aminododecyl)-2-[1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

450.2842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.29148 211.9
[M+Na]+ 473.27342 214.0
[M-H]- 449.27692 212.3
[M+NH4]+ 468.31802 216.3
[M+K]+ 489.24736 209.1
[M+H-H2O]+ 433.28146 201.4
[M+HCOO]- 495.28240 227.8
[M+CH3COO]- 509.29805 233.3
[M+Na-2H]- 471.25887 208.1
[M]+ 450.28365 214.7
[M]- 450.28475 214.7
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.