CID 475826

(4r,5r,6r)-tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](NC(=O)N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2O2/c22-18-16(12-11-14-7-3-1-4-8-14)20-19(23)21-17(18)13-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2,(H2,20,21,23)/t16-,17-,18-/m1/s1
InChIKey
FUDUYBXLEUOWMF-KZNAEPCWSA-N
Compound name
(4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 176.0
[M+Na]+ 333.15734 180.2
[M-H]- 309.16084 177.9
[M+NH4]+ 328.20194 185.2
[M+K]+ 349.13128 172.6
[M+H-H2O]+ 293.16538 166.0
[M+HCOO]- 355.16632 189.0
[M+CH3COO]- 369.18197 183.5
[M+Na-2H]- 331.14279 177.4
[M]+ 310.16757 168.6
[M]- 310.16867 168.6
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.