CID 154728220

Ab001

Structural Information

Molecular Formula
C23H24O6
SMILES
COC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C=C/C2=CC(=C(C(=C2)OC)O)OC)OC
InChI
InChI=1S/C23H24O6/c1-26-19-11-17(12-20(15-19)27-2)9-10-18(24)8-6-5-7-16-13-21(28-3)23(25)22(14-16)29-4/h5-15,25H,1-4H3/b7-5+,8-6+,10-9+
InChIKey
LJSMCOGLALRQKD-BISOHRNISA-N
Compound name
(1E,4E,6E)-1-(3,5-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

396.1573 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 193.6
[M+Na]+ 419.14652 200.6
[M-H]- 395.15002 198.9
[M+NH4]+ 414.19112 204.4
[M+K]+ 435.12046 196.2
[M+H-H2O]+ 379.15456 184.8
[M+HCOO]- 441.15550 214.2
[M+CH3COO]- 455.17115 220.8
[M+Na-2H]- 417.13197 192.0
[M]+ 396.15675 200.8
[M]- 396.15785 200.8
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

patents stripe