CID 9904203

Retinoid 9cuab30

Structural Information

Molecular Formula
C20H22O2
SMILES
C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCC2=CC=CC=C21
InChI
InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+
InChIKey
PPGNMFUMZSAZCW-VOYUZAMQSA-N
Compound name
(2E,4E,6Z,8E)-8-(3,4-dihydro-2H-naphthalen-1-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

93
Patents

294.162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 172.5
[M+Na]+ 317.15122 175.9
[M-H]- 293.15472 173.9
[M+NH4]+ 312.19582 187.8
[M+K]+ 333.12516 169.6
[M+H-H2O]+ 277.15926 165.9
[M+HCOO]- 339.16020 187.2
[M+CH3COO]- 353.17585 201.1
[M+Na-2H]- 315.13667 171.3
[M]+ 294.16145 167.8
[M]- 294.16255 167.8
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.