CID 105570

67745-25-9

Structural Information

Molecular Formula
C31H16O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=C4C5=CC=CC=C5C(=O)C6=CC=CC=C64)C3=O)C7=CC=CC=C7C2=O
InChI
InChI=1S/C31H16O3/c32-29-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)29)27-28(31(27)34)26-19-11-3-7-15-23(19)30(33)24-16-8-4-12-20(24)26/h1-16H
InChIKey
MUGSTAICZDUSAJ-UHFFFAOYSA-N
Compound name
10-[2-oxo-3-(10-oxoanthracen-9-ylidene)cyclopropylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.10995 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11723 206.6
[M+Na]+ 459.09917 228.8
[M+NH4]+ 454.14377 217.3
[M+K]+ 475.07311 217.2
[M-H]- 435.10267 222.5
[M+Na-2H]- 457.08462 217.7
[M]+ 436.10940 216.0
[M]- 436.11050 216.0
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.