CID 2878770

3-(4-methoxyphenyl)-5-phenyl-2-cyclohexen-1-one

Structural Information

Molecular Formula
C19H18O2
SMILES
COC1=CC=C(C=C1)C2=CC(=O)CC(C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18O2/c1-21-19-9-7-15(8-10-19)17-11-16(12-18(20)13-17)14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3
InChIKey
MMVJJVYMEZCERX-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

278.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 164.5
[M+Na]+ 301.11990 171.2
[M-H]- 277.12340 174.0
[M+NH4]+ 296.16450 180.0
[M+K]+ 317.09384 166.5
[M+H-H2O]+ 261.12794 155.6
[M+HCOO]- 323.12888 186.2
[M+CH3COO]- 337.14453 200.4
[M+Na-2H]- 299.10535 168.1
[M]+ 278.13013 163.0
[M]- 278.13123 163.0
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