CID 44566110

Cd 3254

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1=CC2=C(C=C1C3=C(C=CC(=C3)/C=C/C(=O)O)O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
InChIKey
DYLLZSVPAUUSSB-VQHVLOKHSA-N
Compound name
(E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

47
Patents

364.20386 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 188.8
[M+Na]+ 387.19308 202.5
[M+NH4]+ 382.23768 198.9
[M+K]+ 403.16702 191.0
[M-H]- 363.19658 192.5
[M+Na-2H]- 385.17853 196.5
[M]+ 364.20331 192.2
[M]- 364.20441 192.2
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

patents stripe