CID 6448631

9,13-dimethyl-1-(4-hydroxy-3-methoxyphenyl)-1,3,8,12-tetradecatetraen-5-one

Structural Information

Molecular Formula
C23H30O3
SMILES
CC(=CCC/C(=C/CCC(=O)/C=C/C=C/C1=CC(=C(C=C1)O)OC)/C)C
InChI
InChI=1S/C23H30O3/c1-18(2)9-7-10-19(3)11-8-14-21(24)13-6-5-12-20-15-16-22(25)23(17-20)26-4/h5-6,9,11-13,15-17,25H,7-8,10,14H2,1-4H3/b12-5+,13-6+,19-11+
InChIKey
PRGIBLMQZXWTBA-VDBHWXCFSA-N
Compound name
(1E,3E,8E)-1-(4-hydroxy-3-methoxyphenyl)-9,13-dimethyltetradeca-1,3,8,12-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.21948 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22676 191.7
[M+Na]+ 377.20870 200.8
[M+NH4]+ 372.25330 195.7
[M+K]+ 393.18264 193.7
[M-H]- 353.21220 190.7
[M+Na-2H]- 375.19415 192.8
[M]+ 354.21893 192.3
[M]- 354.22003 192.3
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.