CID 3485969

Tricyclo(14.2.2.2(7,10))docosa-1(19),7(22),8,10(21),16(20),17-hexaene

Structural Information

Molecular Formula
C22H28
SMILES
C1CCC2=CC=C(CCCCCC3=CC=C(CC1)C=C3)C=C2
InChI
InChI=1S/C22H28/c1-3-7-19-11-15-21(16-12-19)9-5-2-6-10-22-17-13-20(8-4-1)14-18-22/h11-18H,1-10H2
InChIKey
OWTWHSWQHUIRRR-UHFFFAOYSA-N
Compound name
tricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2191 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22638 180.3
[M+Na]+ 315.20832 172.4
[M-H]- 291.21182 158.2
[M+NH4]+ 310.25292 191.4
[M+K]+ 331.18226 173.5
[M+H-H2O]+ 275.21636 180.5
[M+HCOO]- 337.21730 175.1
[M+CH3COO]- 351.23295 178.2
[M+Na-2H]- 313.19377 186.1
[M]+ 292.21855 172.8
[M]- 292.21965 172.8
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.