CID 15358971

157904-67-1

Structural Information

Molecular Formula
C33H30N2O2
SMILES
CC(C)(C1=N[C@@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=N[C@@H]([C@@H](O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H30N2O2/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26/h3-22,27-30H,1-2H3/t27-,28-,29+,30+/m1/s1
InChIKey
ZWWGNCSTEMMQOQ-XAZDILKDSA-N
Compound name
(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

486.23074 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.23802 220.4
[M+Na]+ 509.21996 238.4
[M+NH4]+ 504.26456 228.3
[M+K]+ 525.19390 232.2
[M-H]- 485.22346 234.2
[M+Na-2H]- 507.20541 233.4
[M]+ 486.23019 227.4
[M]- 486.23129 227.4
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