CID 466838

Chembl25704

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1=CC=C(C=C1)C[C@H]2C([C@@H](NC(=O)N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C18H20N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)20-16(17)12-14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H2,19,20,22)/t15-,16-/m0/s1
InChIKey
CMNDRGWYZFNWCC-HOTGVXAUSA-N
Compound name
(4S,6S)-4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.7
[M+Na]+ 319.14169 176.4
[M-H]- 295.14519 173.8
[M+NH4]+ 314.18629 181.5
[M+K]+ 335.11563 169.0
[M+H-H2O]+ 279.14973 161.9
[M+HCOO]- 341.15067 185.0
[M+CH3COO]- 355.16632 179.7
[M+Na-2H]- 317.12714 173.6
[M]+ 296.15192 164.0
[M]- 296.15302 164.0
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.