CID 2818124

139021-82-2

Structural Information

Molecular Formula
C31H26N2O2
SMILES
C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=N2)CC3=N[C@@H]([C@@H](O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H26N2O2/c1-5-13-22(14-6-1)28-30(24-17-9-3-10-18-24)34-26(32-28)21-27-33-29(23-15-7-2-8-16-23)31(35-27)25-19-11-4-12-20-25/h1-20,28-31H,21H2/t28-,29-,30+,31+/m1/s1
InChIKey
BVEHHQYXICTXGR-VKONIRKNSA-N
Compound name
(4R,5S)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

458.19943 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20671 213.5
[M+Na]+ 481.18865 232.4
[M+NH4]+ 476.23325 221.9
[M+K]+ 497.16259 225.2
[M-H]- 457.19215 227.9
[M+Na-2H]- 479.17410 226.8
[M]+ 458.19888 220.7
[M]- 458.19998 220.7
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

patents stripe