CID 3059556

76776-99-3

Structural Information

Molecular Formula
C20H23N
SMILES
C1CC2CC(C3=CC=CC=C23)N(C1)CCC4=CC=CC=C4
InChI
InChI=1S/C20H23N/c1-2-7-16(8-3-1)12-14-21-13-6-9-17-15-20(21)19-11-5-4-10-18(17)19/h1-5,7-8,10-11,17,20H,6,9,12-15H2
InChIKey
KPDKETKEYKTLNN-UHFFFAOYSA-N
Compound name
9-(2-phenylethyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 167.3
[M+Na]+ 300.17226 172.6
[M-H]- 276.17576 173.4
[M+NH4]+ 295.21686 185.3
[M+K]+ 316.14620 169.0
[M+H-H2O]+ 260.18030 160.8
[M+HCOO]- 322.18124 184.0
[M+CH3COO]- 336.19689 177.5
[M+Na-2H]- 298.15771 171.1
[M]+ 277.18249 162.7
[M]- 277.18359 162.7
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.