CID 6446410

2-propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-(2-propenyloxy)phenyl)-

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]+ 309.112136 171.7
[M+Na]+ 331.094078 179.0
[M-H]- 307.097584 180.3
[M+NH4]+ 326.138683 186.3
[M+K]+ 347.068018 176.5
[M+H-H2O]+ 291.102120 164.7
[M+HCOO]- 353.103061 192.1
[M+CH3COO]- 367.118711 203.6
[M+Na-2H]- 329.079526 175.4
[M]+ 308.10431142 175.5
[M]- 308.10540858 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.