CID 362033

36284-97-6

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(CCC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6)C
InChI
InChI=1S/C21H20O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h5-8,14,20H,3-4,9-10H2,1-2H3
InChIKey
BGWFJLDAZBGWOL-UHFFFAOYSA-N
Compound name
7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,9,15,17(21),22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 175.7
[M+Na]+ 375.12029 185.3
[M-H]- 351.12379 186.6
[M+NH4]+ 370.16489 192.3
[M+K]+ 391.09423 185.7
[M+H-H2O]+ 335.12833 171.0
[M+HCOO]- 397.12927 184.9
[M+CH3COO]- 411.14492 187.3
[M+Na-2H]- 373.10574 180.1
[M]+ 352.13052 179.9
[M]- 352.13162 179.9
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

No patent data available for this compound.