CID 474882

N-(10-aminodecyl)-2-[1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]acetamide

Structural Information

Molecular Formula
C21H34N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CC(=O)NCCCCCCCCCCN
InChI
InChI=1S/C21H34N4O5/c22-11-7-5-3-1-2-4-6-8-12-23-18(27)13-16-14-25(21(29)24-20(16)28)19-10-9-17(15-26)30-19/h9-10,14,17,19,26H,1-8,11-13,15,22H2,(H,23,27)(H,24,28,29)/t17-,19+/m1/s1
InChIKey
XNBHZUCKVFGLFQ-MJGOQNOKSA-N
Compound name
N-(10-aminodecyl)-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

422.25293 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26021 203.5
[M+Na]+ 445.24215 206.6
[M-H]- 421.24565 204.4
[M+NH4]+ 440.28675 209.1
[M+K]+ 461.21609 202.0
[M+H-H2O]+ 405.25019 193.4
[M+HCOO]- 467.25113 220.1
[M+CH3COO]- 481.26678 227.4
[M+Na-2H]- 443.22760 200.7
[M]+ 422.25238 205.6
[M]- 422.25348 205.6
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.