CID 474880

N-(6-amino-hexyl)-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
C17H26N4O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)CC(=O)NCCCCCCN
InChI
InChI=1S/C17H26N4O5/c18-7-3-1-2-4-8-19-14(23)9-12-10-21(17(25)20-16(12)24)15-6-5-13(11-22)26-15/h5-6,10,13,15,22H,1-4,7-9,11,18H2,(H,19,23)(H,20,24,25)/t13-,15+/m1/s1
InChIKey
MZIWVUHTKPDMSA-HIFRSBDPSA-N
Compound name
N-(6-aminohexyl)-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

366.1903 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19758 186.6
[M+Na]+ 389.17952 191.5
[M-H]- 365.18302 188.2
[M+NH4]+ 384.22412 194.5
[M+K]+ 405.15346 187.7
[M+H-H2O]+ 349.18756 177.2
[M+HCOO]- 411.18850 204.5
[M+CH3COO]- 425.20415 215.6
[M+Na-2H]- 387.16497 185.6
[M]+ 366.18975 187.3
[M]- 366.19085 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.