CID 203584

Brn 0623187

Structural Information

Molecular Formula
C22H26N2
SMILES
CN1CCN(CC1)CC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C22H26N2/c1-23-10-12-24(13-11-23)15-16-14-21-17-6-2-4-8-19(17)22(16)20-9-5-3-7-18(20)21/h2-9,16,21-22H,10-15H2,1H3
InChIKey
GDYXNYUPQPSSJO-UHFFFAOYSA-N
Compound name
1-methyl-4-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 174.5
[M+Na]+ 341.19882 177.0
[M-H]- 317.20232 175.4
[M+NH4]+ 336.24342 190.0
[M+K]+ 357.17276 170.3
[M+H-H2O]+ 301.20686 162.1
[M+HCOO]- 363.20780 180.6
[M+CH3COO]- 377.22345 181.4
[M+Na-2H]- 339.18427 180.6
[M]+ 318.20905 171.1
[M]- 318.21015 171.1
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.