CID 6477099

Nsc636421

Structural Information

Molecular Formula
C22H18O2
SMILES
COC1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18O2/c1-24-20-14-12-17(13-15-20)16-21(18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-16H,1H3/b21-16-
InChIKey
MDDBEOBVGULHNN-PGMHBOJBSA-N
Compound name
(Z)-3-(4-methoxyphenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.13068 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13796 175.8
[M+Na]+ 337.11990 181.0
[M-H]- 313.12340 184.8
[M+NH4]+ 332.16450 189.1
[M+K]+ 353.09384 175.6
[M+H-H2O]+ 297.12794 166.3
[M+HCOO]- 359.12888 197.4
[M+CH3COO]- 373.14453 206.6
[M+Na-2H]- 335.10535 178.7
[M]+ 314.13013 175.2
[M]- 314.13123 175.2
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

No patent data available for this compound.