CID 323150

3-anthracen-9-yl-1-(4-(3-anthracen-9-yl-acryloyl)-phenyl)-propenone

Structural Information

Molecular Formula
C40H26O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC(=O)C4=CC=C(C=C4)C(=O)C=CC5=C6C=CC=CC6=CC7=CC=CC=C75
InChI
InChI=1S/C40H26O2/c41-39(23-21-37-33-13-5-1-9-29(33)25-30-10-2-6-14-34(30)37)27-17-19-28(20-18-27)40(42)24-22-38-35-15-7-3-11-31(35)26-32-12-4-8-16-36(32)38/h1-26H
InChIKey
VZFIUAFFXORRFQ-UHFFFAOYSA-N
Compound name
3-anthracen-9-yl-1-[4-(3-anthracen-9-ylprop-2-enoyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.1933 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.20058 237.4
[M+Na]+ 561.18252 259.8
[M+NH4]+ 556.22712 246.9
[M+K]+ 577.15646 244.1
[M-H]- 537.18602 248.2
[M+Na-2H]- 559.16797 249.0
[M]+ 538.19275 244.4
[M]- 538.19385 244.4
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.