CID 474884

5-[(6-aminohexylamino)methyl]-1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H26N4O4
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCN
InChI
InChI=1S/C16H26N4O4/c17-7-3-1-2-4-8-18-9-12-10-20(16(23)19-15(12)22)14-6-5-13(11-21)24-14/h5-6,10,13-14,18,21H,1-4,7-9,11,17H2,(H,19,22,23)/t13-,14+/m1/s1
InChIKey
DZKSKTXJVDEAGZ-KGLIPLIRSA-N
Compound name
5-[(6-aminohexylamino)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

338.1954 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20268 179.8
[M+Na]+ 361.18462 185.4
[M-H]- 337.18812 181.4
[M+NH4]+ 356.22922 189.1
[M+K]+ 377.15856 181.1
[M+H-H2O]+ 321.19266 170.6
[M+HCOO]- 383.19360 198.8
[M+CH3COO]- 397.20925 210.6
[M+Na-2H]- 359.17007 180.4
[M]+ 338.19485 180.3
[M]- 338.19595 180.3
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.