CID 102066549

Acetylsalvipisone

Structural Information

Molecular Formula
C22H26O4
SMILES
CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)OC(=O)C)C(C)C)CCCC(=C)C
InChI
InChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
InChIKey
MCXIDKIJSQDYCT-UHFFFAOYSA-N
Compound name
[7-methyl-8-(4-methylpent-4-enyl)-1,4-dioxo-3-propan-2-ylnaphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1831 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 184.6
[M+Na]+ 377.17232 196.4
[M+NH4]+ 372.21692 190.2
[M+K]+ 393.14626 190.5
[M-H]- 353.17582 185.3
[M+Na-2H]- 375.15777 186.2
[M]+ 354.18255 186.3
[M]- 354.18365 186.3
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.