CID 49555

Brn 0623334

Structural Information

Molecular Formula
C22H28N2
SMILES
CN1CCN(CC1)CCC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H28N2/c1-23-14-16-24(17-15-23)13-12-22-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)22/h2-9,22H,10-17H2,1H3
InChIKey
KWOKDBYPPWUJIP-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 180.1
[M+Na]+ 343.214468 184.0
[M-H]- 319.217974 185.1
[M+NH4]+ 338.259073 192.5
[M+K]+ 359.188408 180.8
[M+H-H2O]+ 303.222510 170.4
[M+HCOO]- 365.223451 192.5
[M+CH3COO]- 379.239101 188.0
[M+Na-2H]- 341.199916 183.0
[M]+ 320.22470142 172.7
[M]- 320.22579858 172.7
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.