CID 131750875

Kopeodin

Structural Information

Molecular Formula
C24H30O4
SMILES
C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC3C(=C)CCC(C3(C)C)O
InChI
InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13-
InChIKey
XXKXCRGLMFAXTK-SSZFMOIBSA-N
Compound name
7-[(Z)-5-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.21442 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 193.4
[M+Na]+ 405.20364 199.6
[M-H]- 381.20714 199.6
[M+NH4]+ 400.24824 206.4
[M+K]+ 421.17758 195.3
[M+H-H2O]+ 365.21168 185.4
[M+HCOO]- 427.21262 207.6
[M+CH3COO]- 441.22827 220.3
[M+Na-2H]- 403.18909 193.3
[M]+ 382.21387 194.4
[M]- 382.21497 194.4
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.