CID 4220682

Tricyclo(14.2.2.2(3,6))docosa-1(19),3(22),4,6(21),16(20),17-hexaene

Structural Information

Molecular Formula
C22H28
SMILES
C1CCCCC2=CC=C(CC3=CC=C(CCCC1)C=C3)C=C2
InChI
InChI=1S/C22H28/c1-2-4-6-8-19-10-14-21(15-11-19)18-22-16-12-20(13-17-22)9-7-5-3-1/h10-17H,1-9,18H2
InChIKey
SYHWDGVHTBCZLI-UHFFFAOYSA-N
Compound name
tricyclo[14.2.2.23,6]docosa-1(18),3(22),4,6(21),16,19-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2191 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22638 184.1
[M+Na]+ 315.20832 177.2
[M-H]- 291.21182 163.8
[M+NH4]+ 310.25292 197.5
[M+K]+ 331.18226 176.9
[M+H-H2O]+ 275.21636 182.9
[M+HCOO]- 337.21730 179.7
[M+CH3COO]- 351.23295 182.8
[M+Na-2H]- 313.19377 190.8
[M]+ 292.21855 178.5
[M]- 292.21965 178.5
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.