CID 71748830

368451-10-9

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(C(CC2(C)C)O)(C)C
InChI
InChI=1S/C24H28O3/c1-14-11-19-20(24(5,6)21(25)13-23(19,3)4)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12,21,25H,2,13H2,1,3-6H3,(H,26,27)
InChIKey
ZXOXDVMWISJVGJ-UHFFFAOYSA-N
Compound name
4-[1-(7-hydroxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.20386 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 186.5
[M+Na]+ 387.19308 194.5
[M-H]- 363.19658 191.8
[M+NH4]+ 382.23768 203.2
[M+K]+ 403.16702 189.3
[M+H-H2O]+ 347.20112 180.2
[M+HCOO]- 409.20206 200.1
[M+CH3COO]- 423.21771 218.3
[M+Na-2H]- 385.17853 185.8
[M]+ 364.20331 186.2
[M]- 364.20441 186.2
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.