CID 6041436

1-benzylidene-3-piperonylideneacetone

Structural Information

Molecular Formula
C18H14O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H14O3/c19-16(9-6-14-4-2-1-3-5-14)10-7-15-8-11-17-18(12-15)21-13-20-17/h1-12H,13H2/b9-6+,10-7+
InChIKey
LZQONVNSDHINSR-KZZDLZNXSA-N
Compound name
(1E,4E)-1-(1,3-benzodioxol-5-yl)-5-phenylpenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 164.3
[M+Na]+ 301.08352 171.3
[M-H]- 277.08702 172.7
[M+NH4]+ 296.12812 180.0
[M+K]+ 317.05746 168.5
[M+H-H2O]+ 261.09156 157.5
[M+HCOO]- 323.09250 184.9
[M+CH3COO]- 337.10815 196.6
[M+Na-2H]- 299.06897 169.1
[M]+ 278.09375 165.8
[M]- 278.09485 165.8
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.