CID 22019763

80067-83-0

Structural Information

Molecular Formula
C21H24O2
SMILES
CC(C)C(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C(C)C
InChI
InChI=1S/C21H24O2/c1-14(2)20(22)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)21(23)15(3)4/h5-12,14-15H,13H2,1-4H3
InChIKey
ZWAPSGLDBQMYQR-UHFFFAOYSA-N
Compound name
2-methyl-1-[4-[[4-(2-methylpropanoyl)phenyl]methyl]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

308.17764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 174.7
[M+Na]+ 331.16686 179.5
[M-H]- 307.17036 180.8
[M+NH4]+ 326.21146 189.1
[M+K]+ 347.14080 176.0
[M+H-H2O]+ 291.17490 166.8
[M+HCOO]- 353.17584 193.5
[M+CH3COO]- 367.19149 211.1
[M+Na-2H]- 329.15231 172.8
[M]+ 308.17709 176.0
[M]- 308.17819 176.0
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