CID 20816

Brn 1351551

Structural Information

Molecular Formula
C23H25N
SMILES
C1CNCC(=C1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C23H25N/c1-3-11-21-19(9-1)14-15-20-10-2-4-12-22(20)23(21)13-5-7-18-8-6-16-24-17-18/h1-4,8-13,24H,5-7,14-17H2
InChIKey
SNUQTJCQTYFDTE-UHFFFAOYSA-N
Compound name
5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1987 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20598 177.9
[M+Na]+ 338.18792 181.5
[M-H]- 314.19142 183.1
[M+NH4]+ 333.23252 191.1
[M+K]+ 354.16186 176.9
[M+H-H2O]+ 298.19596 170.3
[M+HCOO]- 360.19690 191.6
[M+CH3COO]- 374.21255 186.0
[M+Na-2H]- 336.17337 181.7
[M]+ 315.19815 169.1
[M]- 315.19925 169.1
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.