CID 131752722

Pandamarilactone 32

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1=C/C(=C\CCCN2CCCC3=C2CC(=C)C3=O)/OC1=O
InChI
InChI=1S/C18H21NO3/c1-12-11-16-15(17(12)20)7-5-9-19(16)8-4-3-6-14-10-13(2)18(21)22-14/h6,10H,1,3-5,7-9,11H2,2H3/b14-6+
InChIKey
SIAHQINCBBSLKV-MKMNVTDBSA-N
Compound name
6-methylidene-1-[(4E)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]-2,3,4,7-tetrahydrocyclopenta[b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.5
[M+Na]+ 322.14135 182.5
[M+NH4]+ 317.18595 179.2
[M+K]+ 338.11529 179.7
[M-H]- 298.14485 175.2
[M+Na-2H]- 320.12680 173.3
[M]+ 299.15158 174.3
[M]- 299.15268 174.3
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.