CID 5345979

37620-38-5

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H14O3/c1-12-2-6-14(7-3-12)15(18)8-4-13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+
InChIKey
JWGMSRAHCNKMBC-XBXARRHUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

266.0943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 159.4
[M+Na]+ 289.08352 173.7
[M+NH4]+ 284.12812 168.0
[M+K]+ 305.05746 168.5
[M-H]- 265.08702 166.1
[M+Na-2H]- 287.06897 165.6
[M]+ 266.09375 163.4
[M]- 266.09485 163.4
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