CID 11111381

Edulane

Structural Information

Molecular Formula
C22H24O5
SMILES
CC1(CCC2=C(C3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5)OC)OC)C
InChI
InChI=1S/C22H24O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-6,9-10,15,21H,7-8,11H2,1-4H3
InChIKey
QWZQKTKRYJMEKY-UHFFFAOYSA-N
Compound name
6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

368.16238 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 185.4
[M+Na]+ 391.15160 194.6
[M-H]- 367.15510 194.3
[M+NH4]+ 386.19620 201.8
[M+K]+ 407.12554 193.8
[M+H-H2O]+ 351.15964 177.9
[M+HCOO]- 413.16058 197.0
[M+CH3COO]- 427.17623 196.3
[M+Na-2H]- 389.13705 190.1
[M]+ 368.16183 190.9
[M]- 368.16293 190.9
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

patents stripe