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]+ 316.205976 177.9
[M+Na]+ 338.187918 181.5
[M-H]- 314.191424 183.1
[M+NH4]+ 333.232523 191.1
[M+K]+ 354.161858 176.9
[M+H-H2O]+ 298.195960 170.3
[M+HCOO]- 360.196901 191.6
[M+CH3COO]- 374.212551 186.0
[M+Na-2H]- 336.173366 181.7
[M]+ 315.19815142 169.1
[M]- 315.19924858 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.