CID 131751809

Pandamarilactonine a

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC1=CC(OC1=O)C2CCCN2CCC/C=C\3/C=C(C(=O)O3)C
InChI
InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-
InChIKey
HSICZNIIIPFAAO-NSIKDUERSA-N
Compound name
(5Z)-3-methyl-5-[4-[2-(4-methyl-5-oxo-2H-furan-2-yl)pyrrolidin-1-yl]butylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 175.5
[M+Na]+ 340.15194 184.4
[M+NH4]+ 335.19654 181.4
[M+K]+ 356.12588 185.2
[M-H]- 316.15544 180.1
[M+Na-2H]- 338.13739 176.6
[M]+ 317.16217 177.7
[M]- 317.16327 177.7
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.