CID 6009744

42580-60-9

Structural Information

Molecular Formula
C22H16O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H16O3/c23-20(12-6-16-7-13-21-22(14-16)25-15-24-21)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-14H,15H2/b12-6+
InChIKey
PQKKNZVPDKSGIX-WUXMJOGZSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.10995 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11723 177.6
[M+Na]+ 351.09917 184.7
[M-H]- 327.10267 189.3
[M+NH4]+ 346.14377 190.9
[M+K]+ 367.07311 181.3
[M+H-H2O]+ 311.10721 169.4
[M+HCOO]- 373.10815 197.8
[M+CH3COO]- 387.12380 189.1
[M+Na-2H]- 349.08462 181.3
[M]+ 328.10940 178.9
[M]- 328.11050 178.9
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