CID 265639

Nsc627870

Structural Information

Molecular Formula
C33H22O4
SMILES
C1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C33H22O4/c34-29-27-28(30(35)37-29)33(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)32(27,31(33)36)23-17-9-3-10-18-23/h1-20,27-28H
InChIKey
RRYGIAWZXXLJOD-UHFFFAOYSA-N
Compound name
1,7,8,9-tetraphenyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15908 216.1
[M+Na]+ 505.14102 225.6
[M-H]- 481.14452 234.2
[M+NH4]+ 500.18562 232.8
[M+K]+ 521.11496 219.0
[M+H-H2O]+ 465.14906 207.1
[M+HCOO]- 527.15000 235.0
[M+CH3COO]- 541.16565 226.3
[M+Na-2H]- 503.12647 212.9
[M]+ 482.15125 218.3
[M]- 482.15235 218.3
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.