CID 466841

Chembl22057

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C=CCN1[C@H](C([C@@H](N(C1=O)CC=C)CC2=CC=CC=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C24H28N2O2/c1-3-15-25-21(17-19-11-7-5-8-12-19)23(27)22(26(16-4-2)24(25)28)18-20-13-9-6-10-14-20/h3-14,21-23,27H,1-2,15-18H2/t21-,22-/m0/s1
InChIKey
KZSRUZNWMVQWNU-VXKWHMMOSA-N
Compound name
(4S,6S)-4,6-dibenzyl-5-hydroxy-1,3-bis(prop-2-enyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 195.9
[M+Na]+ 399.20432 201.1
[M-H]- 375.20782 200.3
[M+NH4]+ 394.24892 204.1
[M+K]+ 415.17826 193.0
[M+H-H2O]+ 359.21236 184.7
[M+HCOO]- 421.21330 210.4
[M+CH3COO]- 435.22895 219.4
[M+Na-2H]- 397.18977 193.9
[M]+ 376.21455 193.1
[M]- 376.21565 193.1
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.