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 181.7
[M+Na]+ 377.17232 189.3
[M-H]- 353.17582 186.2
[M+NH4]+ 372.21692 196.5
[M+K]+ 393.14626 185.7
[M+H-H2O]+ 337.18036 175.2
[M+HCOO]- 399.18130 198.7
[M+CH3COO]- 413.19695 222.5
[M+Na-2H]- 375.15777 178.1
[M]+ 354.18255 187.0
[M]- 354.18365 187.0
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.