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]+ 381.169656 190.7
[M+Na]+ 403.151598 197.4
[M-H]- 379.155104 197.9
[M+NH4]+ 398.196203 201.4
[M+K]+ 419.125538 191.8
[M+H-H2O]+ 363.159640 181.9
[M+HCOO]- 425.160581 207.3
[M+CH3COO]- 439.176231 216.9
[M+Na-2H]- 401.137046 187.9
[M]+ 380.16183142 190.0
[M]- 380.16292858 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.