CID 474881

N-(6-amino-octyl)-2-[1-(5-hydroxymethyl-2,5-dihydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetamide

Structural Information

Molecular Formula
C19H30N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CC(=O)NCCCCCCCCN
InChI
InChI=1S/C19H30N4O5/c20-9-5-3-1-2-4-6-10-21-16(25)11-14-12-23(19(27)22-18(14)26)17-8-7-15(13-24)28-17/h7-8,12,15,17,24H,1-6,9-11,13,20H2,(H,21,25)(H,22,26,27)/t15-,17+/m1/s1
InChIKey
JOWIIYPQWJZXMQ-WBVHZDCISA-N
Compound name
N-(8-aminooctyl)-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

394.22162 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22890 195.1
[M+Na]+ 417.21084 199.1
[M-H]- 393.21434 196.3
[M+NH4]+ 412.25544 201.8
[M+K]+ 433.18478 194.9
[M+H-H2O]+ 377.21888 185.3
[M+HCOO]- 439.21982 212.3
[M+CH3COO]- 453.23547 221.5
[M+Na-2H]- 415.19629 193.2
[M]+ 394.22107 196.5
[M]- 394.22217 196.5
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.