CID 16655517

890090-21-8

Structural Information

Molecular Formula
C35H30N2O2
SMILES
C1CC2(CCC3=C2C(=CC=C3)C4=N[C@H](CO4)C5=CC=CC=C5)C6=C1C=CC=C6C7=N[C@H](CO7)C8=CC=CC=C8
InChI
InChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-38-33(36-29)27-15-7-13-25-17-19-35(31(25)27)20-18-26-14-8-16-28(32(26)35)34-37-30(22-39-34)24-11-5-2-6-12-24/h1-16,29-30H,17-22H2/t29-,30-,35?/m1/s1
InChIKey
OUEHZICAZAUZFM-NYHVVPQYSA-N
Compound name
(4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.23074 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.23802 219.7
[M+Na]+ 533.21996 236.2
[M+NH4]+ 528.26456 230.6
[M+K]+ 549.19390 231.6
[M-H]- 509.22346 233.4
[M+Na-2H]- 531.20541 229.5
[M]+ 510.23019 226.5
[M]- 510.23129 226.5
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.