CID 474366

Chembl120521

Structural Information

Molecular Formula
C24H28N2O3
SMILES
C1CC23CCC1N2C(=O)N([C@@H]([C@H]([C@@H]3O)O)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C24H28N2O3/c27-21-20(15-17-7-3-1-4-8-17)25(16-18-9-5-2-6-10-18)23(29)26-19-11-13-24(26,14-12-19)22(21)28/h1-10,19-22,27-28H,11-16H2/t19?,20-,21-,22+,24?/m1/s1
InChIKey
HZRLIXRIKBJBFN-WCYBKQEHSA-N
Compound name
(2R,3R,4R)-4,5-dibenzyl-2,3-dihydroxy-5,7-diazatricyclo[6.2.2.01,7]dodecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 199.5
[M+Na]+ 415.19922 204.1
[M-H]- 391.20272 207.0
[M+NH4]+ 410.24382 212.7
[M+K]+ 431.17316 199.9
[M+H-H2O]+ 375.20726 190.2
[M+HCOO]- 437.20820 211.2
[M+CH3COO]- 451.22385 206.8
[M+Na-2H]- 413.18467 195.4
[M]+ 392.20945 192.9
[M]- 392.21055 192.9
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.