CID 1550357

Nsc667228

Structural Information

Molecular Formula
C23H24O5
SMILES
CC1C/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)/C(=C\C3=CC(=C(C=C3)O)OC)/C1
InChI
InChI=1S/C23H24O5/c1-14-8-17(10-15-4-6-19(24)21(12-15)27-2)23(26)18(9-14)11-16-5-7-20(25)22(13-16)28-3/h4-7,10-14,24-25H,8-9H2,1-3H3/b17-10-,18-11+
InChIKey
KJKKTQIBPSRXAG-ICFDZUSXSA-N
Compound name
(2Z,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16238 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 190.7
[M+Na]+ 403.15160 197.4
[M-H]- 379.15510 197.9
[M+NH4]+ 398.19620 201.4
[M+K]+ 419.12554 191.8
[M+H-H2O]+ 363.15964 181.9
[M+HCOO]- 425.16058 207.3
[M+CH3COO]- 439.17623 216.9
[M+Na-2H]- 401.13705 187.9
[M]+ 380.16183 190.0
[M]- 380.16293 190.0
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.