CID 257818

Mls002694677

Structural Information

Molecular Formula
C20H22O2
SMILES
CC(=O)C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C20H22O2/c1-15(21)19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)16(2)22/h7-14H,3-6H2,1-2H3
InChIKey
ZSNMJPFJWCHOJK-UHFFFAOYSA-N
Compound name
1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

294.162 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.169276 171.2
[M+Na]+ 317.151218 177.0
[M-H]- 293.154724 177.4
[M+NH4]+ 312.195823 186.3
[M+K]+ 333.125158 172.6
[M+H-H2O]+ 277.159260 163.1
[M+HCOO]- 339.160201 192.3
[M+CH3COO]- 353.175851 206.4
[M+Na-2H]- 315.136666 172.2
[M]+ 294.16145142 173.3
[M]- 294.16254858 173.3
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