CID 155888076

16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid

Structural Information

Molecular Formula
C21H26O4
SMILES
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O
InChI
InChI=1S/C21H26O4/c1-16(12-8-14-18(3)20(22)23)10-6-7-11-17(2)13-9-15-19(4)21(24)25-5/h6-15H,1-5H3,(H,22,23)
InChIKey
DGGQUKOLHQXDLV-UHFFFAOYSA-N
Compound name
16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1831 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 185.3
[M+Na]+ 365.17232 188.0
[M-H]- 341.17582 182.5
[M+NH4]+ 360.21692 193.5
[M+K]+ 381.14626 182.5
[M+H-H2O]+ 325.18036 179.7
[M+HCOO]- 387.18130 191.2
[M+CH3COO]- 401.19695 209.6
[M+Na-2H]- 363.15777 177.3
[M]+ 342.18255 185.5
[M]- 342.18365 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.