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
2
Annotation Hits

28
References

79
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 173.4
[M+Na]+ 317.15122 183.3
[M+NH4]+ 312.19582 179.8
[M+K]+ 333.12516 176.1
[M-H]- 293.15472 173.8
[M+Na-2H]- 315.13667 175.7
[M]+ 294.16145 174.5
[M]- 294.16255 174.5
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

patents stripe