CID 468425

Chembl36380

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1[C@H]([C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C25H26N2O2/c28-24-19-26(17-21-12-6-2-7-13-21)25(29)27(18-22-14-8-3-9-15-22)23(24)16-20-10-4-1-5-11-20/h1-15,23-24,28H,16-19H2/t23-,24-/m1/s1
InChIKey
GPADBRIUIALHNW-DNQXCXABSA-N
Compound name
(4R,5R)-1,3,4-tribenzyl-5-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 197.2
[M+Na]+ 409.18865 201.6
[M-H]- 385.19215 204.5
[M+NH4]+ 404.23325 204.0
[M+K]+ 425.16259 193.8
[M+H-H2O]+ 369.19669 184.4
[M+HCOO]- 431.19763 212.0
[M+CH3COO]- 445.21328 204.4
[M+Na-2H]- 407.17410 197.7
[M]+ 386.19888 192.8
[M]- 386.19998 192.8
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.