CID 102224960

Pandamarilactone 1

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC1=C/C(=C/CCCN2CCCCC23C=C(C(=O)O3)C)/OC1=O
InChI
InChI=1S/C18H23NO4/c1-13-11-15(22-16(13)20)7-3-5-9-19-10-6-4-8-18(19)12-14(2)17(21)23-18/h7,11-12H,3-6,8-10H2,1-2H3/b15-7-
InChIKey
IMWDTVAWMRQOGN-CHHVJCJISA-N
Compound name
3-methyl-10-[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]-1-oxa-10-azaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.4
[M+Na]+ 340.151938 181.5
[M-H]- 316.155444 182.9
[M+NH4]+ 335.196543 190.9
[M+K]+ 356.125878 179.5
[M+H-H2O]+ 300.159980 168.7
[M+HCOO]- 362.160921 191.4
[M+CH3COO]- 376.176571 204.5
[M+Na-2H]- 338.137386 173.3
[M]+ 317.16217142 174.8
[M]- 317.16326858 174.8
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.