CID 100080

6-methyl-3,4-diphenyloxan-2-one

Structural Information

Molecular Formula
C18H18O2
SMILES
CC1CC(C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18O2/c1-13-12-16(14-8-4-2-5-9-14)17(18(19)20-13)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3
InChIKey
OKRVHEHNCFHKNU-UHFFFAOYSA-N
Compound name
6-methyl-3,4-diphenyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 161.4
[M+Na]+ 289.119898 167.8
[M-H]- 265.123404 171.4
[M+NH4]+ 284.164503 176.2
[M+K]+ 305.093838 164.5
[M+H-H2O]+ 249.127940 152.9
[M+HCOO]- 311.128881 181.2
[M+CH3COO]- 325.144531 173.3
[M+Na-2H]- 287.105346 165.4
[M]+ 266.13013142 158.8
[M]- 266.13122858 158.8
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

patents stripe