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]+ 409.20094 198.6
[M+Na]+ 431.18288 205.3
[M-H]- 407.18638 208.1
[M+NH4]+ 426.22748 209.6
[M+K]+ 447.15682 200.9
[M+H-H2O]+ 391.19092 188.7
[M+HCOO]- 453.19186 217.6
[M+CH3COO]- 467.20751 227.2
[M+Na-2H]- 429.16833 195.6
[M]+ 408.19311 202.1
[M]- 408.19421 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.