CID 468423

Bdbm1116

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2)CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C26H28N2O2/c29-25-23(17-16-20-10-4-1-5-11-20)27-26(30)28(19-22-14-8-3-9-15-22)24(25)18-21-12-6-2-7-13-21/h1-15,23-25,29H,16-19H2,(H,27,30)/t23-,24-,25-/m1/s1
InChIKey
OVTFTTYZDSKPMS-UBFVSLLYSA-N
Compound name
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

400.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 201.1
[M+Na]+ 423.20432 204.6
[M-H]- 399.20782 206.9
[M+NH4]+ 418.24892 206.7
[M+K]+ 439.17826 195.8
[M+H-H2O]+ 383.21236 188.5
[M+HCOO]- 445.21330 214.1
[M+CH3COO]- 459.22895 207.2
[M+Na-2H]- 421.18977 200.8
[M]+ 400.21455 195.3
[M]- 400.21565 195.3
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.