CID 421599

Nsc136116

Structural Information

Molecular Formula
C35H28O2
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H28O2/c36-34(29-22-12-4-13-23-29)32(27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)33(28-20-10-3-11-21-28)35(37)30-24-14-5-15-25-30/h1-25,31-33H
InChIKey
SCCYGMDHAOIIGV-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentakis-phenylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

480.20892 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21620 220.9
[M+Na]+ 503.19814 219.9
[M-H]- 479.20164 233.0
[M+NH4]+ 498.24274 224.4
[M+K]+ 519.17208 213.1
[M+H-H2O]+ 463.20618 207.5
[M+HCOO]- 525.20712 236.2
[M+CH3COO]- 539.22277 225.9
[M+Na-2H]- 501.18359 218.7
[M]+ 480.20837 216.1
[M]- 480.20947 216.1
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