CID 6477634

Nsc705585

Structural Information

Molecular Formula
C24H26O7
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)/C(=C\C3=CC(=C(C(=C3)OC)O)OC)/CCC2
InChI
InChI=1S/C24H26O7/c1-28-18-10-14(11-19(29-2)23(18)26)8-16-6-5-7-17(22(16)25)9-15-12-20(30-3)24(27)21(13-15)31-4/h8-13,26-27H,5-7H2,1-4H3/b16-8-,17-9-
InChIKey
QMHMTEMGAVZCQH-JCDHFMOQSA-N
Compound name
(2Z,6Z)-2,6-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.16785 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17513 200.0
[M+Na]+ 449.15707 206.6
[M-H]- 425.16057 207.3
[M+NH4]+ 444.20167 208.8
[M+K]+ 465.13101 202.6
[M+H-H2O]+ 409.16511 190.6
[M+HCOO]- 471.16605 216.5
[M+CH3COO]- 485.18170 225.9
[M+Na-2H]- 447.14252 196.5
[M]+ 426.16730 202.9
[M]- 426.16840 202.9
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.