CID 5843505

Angeolide

Structural Information

Molecular Formula
C24H28O4
SMILES
CCC/C=C\1/C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC
InChI
InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-
InChIKey
DZMFTLLDUYBHLI-JAIQZWGSSA-N
Compound name
(2Z)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzofuran]-1',4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19876 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 187.2
[M+Na]+ 403.18798 196.8
[M+NH4]+ 398.23258 199.5
[M+K]+ 419.16192 189.2
[M-H]- 379.19148 189.9
[M+Na-2H]- 401.17343 184.3
[M]+ 380.19821 189.6
[M]- 380.19931 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.