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]+ 264.174676 158.8
[M+Na]+ 286.156618 162.4
[M-H]- 262.160124 159.3
[M+NH4]+ 281.201223 178.0
[M+K]+ 302.130558 156.6
[M+H-H2O]+ 246.164660 149.3
[M+HCOO]- 308.165601 169.8
[M+CH3COO]- 322.181251 167.8
[M+Na-2H]- 284.142066 168.8
[M]+ 263.16685142 158.5
[M]- 263.16794858 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.