CID 108283

54915-50-3

Structural Information

Molecular Formula
C20H23N
SMILES
C1CC2CN(CC1C3=CC=CC=C23)CCC4=CC=CC=C4
InChI
InChI=1S/C20H23N/c1-2-6-16(7-3-1)12-13-21-14-17-10-11-18(15-21)20-9-5-4-8-19(17)20/h1-9,17-18H,10-15H2
InChIKey
SOLUPOPWUNSRBM-UHFFFAOYSA-N
Compound name
10-(2-phenylethyl)-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 173.3
[M+Na]+ 300.172258 181.0
[M-H]- 276.175764 178.0
[M+NH4]+ 295.216863 190.8
[M+K]+ 316.146198 175.5
[M+H-H2O]+ 260.180300 172.0
[M+HCOO]- 322.181241 184.4
[M+CH3COO]- 336.196891 182.0
[M+Na-2H]- 298.157706 181.5
[M]+ 277.18249142 171.7
[M]- 277.18358858 171.7
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.