CID 49556

Brn 0621270

Structural Information

Molecular Formula
C22H26N2
SMILES
CN1CCN(CC1)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C22H26N2/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/h2-9,12H,10-11,13-17H2,1H3
InChIKey
MUOHKHSNNJAZIW-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 179.5
[M+Na]+ 341.19882 183.9
[M-H]- 317.20232 184.7
[M+NH4]+ 336.24342 192.1
[M+K]+ 357.17276 180.2
[M+H-H2O]+ 301.20686 170.0
[M+HCOO]- 363.20780 192.2
[M+CH3COO]- 377.22345 187.6
[M+Na-2H]- 339.18427 182.4
[M]+ 318.20905 171.5
[M]- 318.21015 171.5
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.