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]+ 321.23253 182.1
[M+Na]+ 343.21447 194.9
[M+NH4]+ 338.25907 191.0
[M+K]+ 359.18841 186.1
[M-H]- 319.21797 187.2
[M+Na-2H]- 341.19992 188.5
[M]+ 320.22470 185.6
[M]- 320.22580 185.6
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.