CID 6475010

Nsc690746

Structural Information

Molecular Formula
C25H28O5
SMILES
CC\1CC/C(=C/C2=CC(=C(C=C2)OC)OC)/C(=O)/C1=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H28O5/c1-16-6-9-19(12-17-7-10-21(27-2)23(14-17)29-4)25(26)20(16)13-18-8-11-22(28-3)24(15-18)30-5/h7-8,10-16H,6,9H2,1-5H3/b19-12-,20-13+
InChIKey
FNEHNMVDEJMKOR-ZEDXCMECSA-N
Compound name
(2E,6Z)-2,6-bis[(3,4-dimethoxyphenyl)methylidene]-3-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.200936 198.6
[M+Na]+ 431.182878 205.3
[M-H]- 407.186384 208.1
[M+NH4]+ 426.227483 209.6
[M+K]+ 447.156818 200.9
[M+H-H2O]+ 391.190920 188.7
[M+HCOO]- 453.191861 217.6
[M+CH3COO]- 467.207511 227.2
[M+Na-2H]- 429.168326 195.6
[M]+ 408.19311142 202.1
[M]- 408.19420858 202.1
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.