CID 90979

2-pentene-1,5-dione, 1,3,5-triphenyl-

Structural Information

Molecular Formula
C23H18O2
SMILES
C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-16H,17H2
InChIKey
DNFKLFZFLOSFFB-UHFFFAOYSA-N
Compound name
1,3,5-triphenylpent-2-ene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

326.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13796 179.5
[M+Na]+ 349.11990 183.2
[M-H]- 325.12340 187.9
[M+NH4]+ 344.16450 191.7
[M+K]+ 365.09384 177.4
[M+H-H2O]+ 309.12794 169.8
[M+HCOO]- 371.12888 199.8
[M+CH3COO]- 385.14453 208.5
[M+Na-2H]- 347.10535 181.4
[M]+ 326.13013 177.5
[M]- 326.13123 177.5
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

patents stripe