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]+ 355.190376 181.7
[M+Na]+ 377.172318 189.3
[M-H]- 353.175824 186.2
[M+NH4]+ 372.216923 196.5
[M+K]+ 393.146258 185.7
[M+H-H2O]+ 337.180360 175.2
[M+HCOO]- 399.181301 198.7
[M+CH3COO]- 413.196951 222.5
[M+Na-2H]- 375.157766 178.1
[M]+ 354.18255142 187.0
[M]- 354.18364858 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.