CID 4277936

2,3-dibenzoyl-1,4-diphenyl-1,4-butanedione

Structural Information

Molecular Formula
C30H22O4
SMILES
C1=CC=C(C=C1)C(=O)C(C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H22O4/c31-27(21-13-5-1-6-14-21)25(28(32)22-15-7-2-8-16-22)26(29(33)23-17-9-3-10-18-23)30(34)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey
QPKVOOSJCFCEGP-UHFFFAOYSA-N
Compound name
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

446.1518 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15908 208.2
[M+Na]+ 469.14102 208.4
[M-H]- 445.14452 218.5
[M+NH4]+ 464.18562 213.7
[M+K]+ 485.11496 203.9
[M+H-H2O]+ 429.14906 196.4
[M+HCOO]- 491.15000 224.4
[M+CH3COO]- 505.16565 231.7
[M+Na-2H]- 467.12647 205.6
[M]+ 446.15125 205.9
[M]- 446.15235 205.9
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