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]+ 278.19032 173.3
[M+Na]+ 300.17226 181.0
[M-H]- 276.17576 178.0
[M+NH4]+ 295.21686 190.8
[M+K]+ 316.14620 175.5
[M+H-H2O]+ 260.18030 172.0
[M+HCOO]- 322.18124 184.4
[M+CH3COO]- 336.19689 182.0
[M+Na-2H]- 298.15771 181.5
[M]+ 277.18249 171.7
[M]- 277.18359 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.