CID 474885

5-[(8-aminooctylamino)methyl]-1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H30N4O4
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CNCCCCCCCCN
InChI
InChI=1S/C18H30N4O4/c19-9-5-3-1-2-4-6-10-20-11-14-12-22(18(25)21-17(14)24)16-8-7-15(13-23)26-16/h7-8,12,15-16,20,23H,1-6,9-11,13,19H2,(H,21,24,25)/t15-,16+/m1/s1
InChIKey
QLXBOWYEBCSXSN-CVEARBPZSA-N
Compound name
5-[(8-aminooctylamino)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

366.2267 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23398 188.4
[M+Na]+ 389.21592 193.0
[M-H]- 365.21942 189.6
[M+NH4]+ 384.26052 196.5
[M+K]+ 405.18986 188.3
[M+H-H2O]+ 349.22396 178.7
[M+HCOO]- 411.22490 206.6
[M+CH3COO]- 425.24055 216.6
[M+Na-2H]- 387.20137 187.9
[M]+ 366.22615 189.5
[M]- 366.22725 189.5
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.