CID 6446410

D 480

Structural Information

Molecular Formula
C19H16O4
SMILES
C=CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C19H16O4/c1-2-11-21-16-7-5-15(6-8-16)17(20)9-3-14-4-10-18-19(12-14)23-13-22-18/h2-10,12H,1,11,13H2/b9-3+
InChIKey
RLRPREWKWJPMKC-YCRREMRBSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 171.7
[M+Na]+ 331.09408 179.0
[M-H]- 307.09758 180.3
[M+NH4]+ 326.13868 186.3
[M+K]+ 347.06802 176.5
[M+H-H2O]+ 291.10212 164.7
[M+HCOO]- 353.10306 192.1
[M+CH3COO]- 367.11871 203.6
[M+Na-2H]- 329.07953 175.4
[M]+ 308.10431 175.5
[M]- 308.10541 175.5
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.