CID 441993

Spathelia bischromene

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=O)C2=C3C(=C4C(=C2O1)C=CC(O4)(C)C)C=CC(O3)(C)C
InChI
InChI=1S/C20H20O4/c1-11-10-14(21)15-17(22-11)12-6-8-19(2,3)23-16(12)13-7-9-20(4,5)24-18(13)15/h6-10H,1-5H3
InChIKey
CUFLINMPEWUGEH-UHFFFAOYSA-N
Compound name
4,10,10,16,16-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,11,13,17-hexaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

324.13617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 173.5
[M+Na]+ 347.12539 186.3
[M-H]- 323.12889 183.0
[M+NH4]+ 342.16999 191.6
[M+K]+ 363.09933 185.8
[M+H-H2O]+ 307.13343 165.3
[M+HCOO]- 369.13437 188.5
[M+CH3COO]- 383.15002 186.6
[M+Na-2H]- 345.11084 182.8
[M]+ 324.13562 180.4
[M]- 324.13672 180.4
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

patents stripe