CID 6477468

Nsc669022

Structural Information

Molecular Formula
C26H26O5
SMILES
COC1=C(C=CC(=C1)/C=C/C=C/2\C(=O)/C(=C\C=C\C3=CC(=C(C=C3)O)OC)/CCC2)O
InChI
InChI=1S/C26H26O5/c1-30-24-16-18(12-14-22(24)27)6-3-8-20-10-5-11-21(26(20)29)9-4-7-19-13-15-23(28)25(17-19)31-2/h3-4,6-9,12-17,27-28H,5,10-11H2,1-2H3/b6-3+,7-4+,20-8-,21-9-
InChIKey
QTCFGIPIXZIJHC-WCTZNUABSA-N
Compound name
(2Z,6Z)-2,6-bis[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.178 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18528 202.1
[M+Na]+ 441.16722 207.3
[M-H]- 417.17072 208.4
[M+NH4]+ 436.21182 210.9
[M+K]+ 457.14116 199.8
[M+H-H2O]+ 401.17526 192.7
[M+HCOO]- 463.17620 218.2
[M+CH3COO]- 477.19185 221.9
[M+Na-2H]- 439.15267 198.4
[M]+ 418.17745 200.4
[M]- 418.17855 200.4
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

No patent data available for this compound.