CID 119725

27830-75-7

Structural Information

Molecular Formula
C23H25N
SMILES
CN1C2CCC1CC(=C3C4=CC=CC=C4CCC5=CC=CC=C53)C2
InChI
InChI=1S/C23H25N/c1-24-19-12-13-20(24)15-18(14-19)23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,19-20H,10-15H2,1H3
InChIKey
XFZRRLHVTJPTHG-UHFFFAOYSA-N
Compound name
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

315.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.205976 178.3
[M+Na]+ 338.187918 183.9
[M-H]- 314.191424 185.1
[M+NH4]+ 333.232523 195.8
[M+K]+ 354.161858 178.3
[M+H-H2O]+ 298.195960 171.6
[M+HCOO]- 360.196901 191.0
[M+CH3COO]- 374.212551 187.4
[M+Na-2H]- 336.173366 179.5
[M]+ 315.19815142 170.6
[M]- 315.19924858 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe