CID 480082

4(r)-benzyl-5(s)-hydroxy-6(r)-hydroxymethyl-1-(4-methoxybenzyl)-tetrahydropyrimidin-2-one

Structural Information

Molecular Formula
C20H24N2O4
SMILES
COC1=CC=C(C=C1)CN2[C@@H]([C@H]([C@H](NC2=O)CC3=CC=CC=C3)O)CO
InChI
InChI=1S/C20H24N2O4/c1-26-16-9-7-15(8-10-16)12-22-18(13-23)19(24)17(21-20(22)25)11-14-5-3-2-4-6-14/h2-10,17-19,23-24H,11-13H2,1H3,(H,21,25)/t17-,18-,19+/m1/s1
InChIKey
HTRWQIHOTNEGDB-QRVBRYPASA-N
Compound name
(4R,5S,6R)-4-benzyl-5-hydroxy-6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 186.9
[M+Na]+ 379.16282 192.1
[M-H]- 355.16632 189.5
[M+NH4]+ 374.20742 194.6
[M+K]+ 395.13676 185.9
[M+H-H2O]+ 339.17086 176.7
[M+HCOO]- 401.17180 199.8
[M+CH3COO]- 415.18745 208.9
[M+Na-2H]- 377.14827 186.5
[M]+ 356.17305 183.6
[M]- 356.17415 183.6
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.