CID 486505

Glepidotin d

Structural Information

Molecular Formula
C24H30O3
SMILES
CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
InChI
InChI=1S/C24H30O3/c1-17(2)8-11-22-23(26)15-20(16-24(22)27-13-12-18(3)4)10-9-19-6-5-7-21(25)14-19/h5-8,12,14-16,25-26H,9-11,13H2,1-4H3
InChIKey
PXJDPPLCQZVKRC-UHFFFAOYSA-N
Compound name
5-[2-(3-hydroxyphenyl)ethyl]-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.21948 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 192.8
[M+Na]+ 389.20870 197.8
[M-H]- 365.21220 196.2
[M+NH4]+ 384.25330 204.2
[M+K]+ 405.18264 191.7
[M+H-H2O]+ 349.21674 184.8
[M+HCOO]- 411.21768 209.7
[M+CH3COO]- 425.23333 216.6
[M+Na-2H]- 387.19415 189.3
[M]+ 366.21893 194.7
[M]- 366.22003 194.7
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.