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 190.6
[M+Na]+ 377.20870 194.4
[M-H]- 353.21220 191.4
[M+NH4]+ 372.25330 203.1
[M+K]+ 393.18264 188.3
[M+H-H2O]+ 337.21674 183.5
[M+HCOO]- 399.21768 207.7
[M+CH3COO]- 413.23333 214.9
[M+Na-2H]- 375.19415 186.0
[M]+ 354.21893 193.1
[M]- 354.22003 193.1
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.