CID 3047634

63828-84-2

Structural Information

Molecular Formula
C19H21N
SMILES
C1CC2C3=CC=CC=C3C1CN2CCC4=CC=CC=C4
InChI
InChI=1S/C19H21N/c1-2-6-15(7-3-1)12-13-20-14-16-10-11-19(20)18-9-5-4-8-17(16)18/h1-9,16,19H,10-14H2
InChIKey
ZRIDUFNUJMZLAH-UHFFFAOYSA-N
Compound name
9-(2-phenylethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 158.8
[M+Na]+ 286.15662 162.4
[M-H]- 262.16012 159.3
[M+NH4]+ 281.20122 178.0
[M+K]+ 302.13056 156.6
[M+H-H2O]+ 246.16466 149.3
[M+HCOO]- 308.16560 169.8
[M+CH3COO]- 322.18125 167.8
[M+Na-2H]- 284.14207 168.8
[M]+ 263.16685 158.5
[M]- 263.16795 158.5
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.