CID 2891291

2-(9h-xanthen-9-yl)-1,2'-biindene-1',3,3'(2h)-trione

Structural Information

Molecular Formula
C31H18O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4C(=C5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7C4=O
InChI
InChI=1S/C31H18O4/c32-29-18-10-2-1-9-17(18)26(28-30(33)19-11-3-4-12-20(19)31(28)34)27(29)25-21-13-5-7-15-23(21)35-24-16-8-6-14-22(24)25/h1-16,25,27H
InChIKey
LPJCSVKAGSSMIL-UHFFFAOYSA-N
Compound name
2-[3-oxo-2-(9H-xanthen-9-yl)inden-1-ylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.1205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12778 208.6
[M+Na]+ 477.10972 218.0
[M-H]- 453.11322 222.9
[M+NH4]+ 472.15432 222.6
[M+K]+ 493.08366 210.5
[M+H-H2O]+ 437.11776 199.7
[M+HCOO]- 499.11870 223.9
[M+CH3COO]- 513.13435 218.2
[M+Na-2H]- 475.09517 206.1
[M]+ 454.11995 208.7
[M]- 454.12105 208.7
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

No patent data available for this compound.