CID 52921690

940880-69-3

Structural Information

Molecular Formula
C35H30N2O2
SMILES
C1C[C@]2(CCC3=C2C(=CC=C3)C4=N[C@H](CO4)C5=CC=CC=C5)C6=C1C=CC=C6C7=N[C@H](OC7)C8=CC=CC=C8
InChI
InChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-39-34(36-29)28-16-8-14-25-18-20-35(32(25)28)19-17-24-13-7-15-27(31(24)35)30-22-38-33(37-30)26-11-5-2-6-12-26/h1-16,29,33H,17-22H2/t29-,33-,35+/m1/s1
InChIKey
QSBJXOGJVXXJRA-DMOWINQSSA-N
Compound name
(2R)-2-phenyl-4-[(3S)-4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.23074 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.23802 216.6
[M+Na]+ 533.21996 223.3
[M-H]- 509.22346 235.5
[M+NH4]+ 528.26456 227.5
[M+K]+ 549.19390 217.7
[M+H-H2O]+ 493.22800 207.5
[M+HCOO]- 555.22894 231.5
[M+CH3COO]- 569.24459 225.0
[M+Na-2H]- 531.20541 207.8
[M]+ 510.23019 215.6
[M]- 510.23129 215.6
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.