CID 49599

Brn 1351549

Structural Information

Molecular Formula
C23H29N
SMILES
CN1CCCCC1CCC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C23H29N/c1-24-17-7-6-10-20(24)15-16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-5,8-9,11-12,20,23H,6-7,10,13-17H2,1H3
InChIKey
ADSHITFFHUVGKK-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 179.5
[M+Na]+ 342.21922 182.9
[M-H]- 318.22272 185.8
[M+NH4]+ 337.26382 193.4
[M+K]+ 358.19316 179.8
[M+H-H2O]+ 302.22726 171.5
[M+HCOO]- 364.22820 193.0
[M+CH3COO]- 378.24385 187.9
[M+Na-2H]- 340.20467 181.9
[M]+ 319.22945 172.0
[M]- 319.23055 172.0
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.