CID 9922708

Dtxsid00871459

Structural Information

Molecular Formula
C20H22O3
SMILES
CCCCC(C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C20H22O3/c1-3-4-15-20(23-2,18(21)16-11-7-5-8-12-16)19(22)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey
TYYHDKOVFSVWON-UHFFFAOYSA-N
Compound name
2-butyl-2-methoxy-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

22992
Patents

310.1569 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.164176 175.1
[M+Na]+ 333.146118 179.3
[M-H]- 309.149624 180.8
[M+NH4]+ 328.190723 188.9
[M+K]+ 349.120058 176.0
[M+H-H2O]+ 293.154160 167.0
[M+HCOO]- 355.155101 194.9
[M+CH3COO]- 369.170751 206.4
[M+Na-2H]- 331.131566 178.3
[M]+ 310.15635142 177.4
[M]- 310.15744858 177.4
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