CID 3294387

796988-73-3

Structural Information

Molecular Formula
C23H28O
SMILES
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C23H28O/c1-22(2,3)19-12-7-17(8-13-19)9-16-21(24)18-10-14-20(15-11-18)23(4,5)6/h7-16H,1-6H3
InChIKey
DLTLJPHIQGOXIB-UHFFFAOYSA-N
Compound name
1,3-bis(4-tert-butylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22130 179.4
[M+Na]+ 343.20324 185.5
[M-H]- 319.20674 185.9
[M+NH4]+ 338.24784 194.2
[M+K]+ 359.17718 180.5
[M+H-H2O]+ 303.21128 172.3
[M+HCOO]- 365.21222 197.3
[M+CH3COO]- 379.22787 211.3
[M+Na-2H]- 341.18869 181.9
[M]+ 320.21347 180.8
[M]- 320.21457 180.8
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