CID 129011620

1,3-bis(4-(2-methylpropyl)phenyl)butan-1-one

Structural Information

Molecular Formula
C24H32O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)CC(=O)C2=CC=C(C=C2)CC(C)C
InChI
InChI=1S/C24H32O/c1-17(2)14-20-6-10-22(11-7-20)19(5)16-24(25)23-12-8-21(9-13-23)15-18(3)4/h6-13,17-19H,14-16H2,1-5H3
InChIKey
QJBUYPFVSVNYDO-UHFFFAOYSA-N
Compound name
1,3-bis[4-(2-methylpropyl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

336.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.252606 186.7
[M+Na]+ 359.234548 189.9
[M-H]- 335.238054 192.1
[M+NH4]+ 354.279153 200.0
[M+K]+ 375.208488 185.7
[M+H-H2O]+ 319.242590 178.3
[M+HCOO]- 381.243531 204.0
[M+CH3COO]- 395.259181 218.8
[M+Na-2H]- 357.219996 183.1
[M]+ 336.24478142 188.3
[M]- 336.24587858 188.3
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