CID 383407

Nsc671637

Structural Information

Molecular Formula
C26H20O3
SMILES
C1[C@@H](C2([C@H](CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5
InChI
InChI=1S/C26H20O3/c27-19-15-22(17-9-3-1-4-10-17)26(23(16-19)18-11-5-2-6-12-18)24(28)20-13-7-8-14-21(20)25(26)29/h1-14,22-23H,15-16H2/t22-,23-/m1/s1
InChIKey
JCRKSTFTQQLWFT-DHIUTWEWSA-N
Compound name
(3R,5R)-3,5-diphenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14852 193.4
[M+Na]+ 403.13046 201.3
[M-H]- 379.13396 206.0
[M+NH4]+ 398.17506 209.4
[M+K]+ 419.10440 194.0
[M+H-H2O]+ 363.13850 183.3
[M+HCOO]- 425.13944 211.8
[M+CH3COO]- 439.15509 203.6
[M+Na-2H]- 401.11591 193.3
[M]+ 380.14069 189.9
[M]- 380.14179 189.9
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.