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]+ 318.17000 174.4
[M+Na]+ 340.15194 181.5
[M-H]- 316.15544 182.9
[M+NH4]+ 335.19654 190.9
[M+K]+ 356.12588 179.5
[M+H-H2O]+ 300.15998 168.7
[M+HCOO]- 362.16092 191.4
[M+CH3COO]- 376.17657 204.5
[M+Na-2H]- 338.13739 173.3
[M]+ 317.16217 174.8
[M]- 317.16327 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.