CID 6367683

Nsc636423

Structural Information

Molecular Formula
C22H18O
SMILES
CC1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18O/c1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)22(23)20-10-6-3-7-11-20/h2-16H,1H3/b21-16-
InChIKey
RHDMGURICNGYKG-PGMHBOJBSA-N
Compound name
(Z)-3-(4-methylphenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13577 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14305 172.1
[M+Na]+ 321.12499 177.5
[M-H]- 297.12849 181.1
[M+NH4]+ 316.16959 186.2
[M+K]+ 337.09893 171.4
[M+H-H2O]+ 281.13303 162.9
[M+HCOO]- 343.13397 193.6
[M+CH3COO]- 357.14962 182.9
[M+Na-2H]- 319.11044 175.1
[M]+ 298.13522 170.2
[M]- 298.13632 170.2
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

No patent data available for this compound.