CID 4530275

Tricyclo(17.2.2.2(3,6))pentacosa-1(22),3(25),4,6(24),19(23),20-hexaene

Structural Information

Molecular Formula
C25H34
SMILES
C1CCCCCCC2=CC=C(CC3=CC=C(CCCCC1)C=C3)C=C2
InChI
InChI=1S/C25H34/c1-2-4-6-8-10-12-23-15-19-25(20-16-23)21-24-17-13-22(14-18-24)11-9-7-5-3-1/h13-20H,1-12,21H2
InChIKey
CAFPOHHQRDPFIQ-UHFFFAOYSA-N
Compound name
tricyclo[17.2.2.23,6]pentacosa-1(21),3(25),4,6(24),19,22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26605 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.27333 194.4
[M+Na]+ 357.25527 183.8
[M-H]- 333.25877 172.3
[M+NH4]+ 352.29987 205.5
[M+K]+ 373.22921 183.4
[M+H-H2O]+ 317.26331 191.6
[M+HCOO]- 379.26425 185.5
[M+CH3COO]- 393.27990 190.2
[M+Na-2H]- 355.24072 198.5
[M]+ 334.26550 186.4
[M]- 334.26660 186.4
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.