CID 474886

5-[(10-aminodecylamino)methyl]-1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H34N4O4
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCCCCCN
InChI
InChI=1S/C20H34N4O4/c21-11-7-5-3-1-2-4-6-8-12-22-13-16-14-24(20(27)23-19(16)26)18-10-9-17(15-25)28-18/h9-10,14,17-18,22,25H,1-8,11-13,15,21H2,(H,23,26,27)/t17-,18+/m1/s1
InChIKey
UQYZDLUTJUKBKP-MSOLQXFVSA-N
Compound name
5-[(10-aminodecylamino)methyl]-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.258 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26528 196.8
[M+Na]+ 417.24722 200.5
[M-H]- 393.25072 197.6
[M+NH4]+ 412.29182 203.7
[M+K]+ 433.22116 195.4
[M+H-H2O]+ 377.25526 186.7
[M+HCOO]- 439.25620 214.3
[M+CH3COO]- 453.27185 222.5
[M+Na-2H]- 415.23267 195.4
[M]+ 394.25745 198.6
[M]- 394.25855 198.6
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.