CID 3051189

67293-82-7

Structural Information

Molecular Formula
C19H21NO
SMILES
C1C2CN(CC1OC3=CC=CC=C23)CCC4=CC=CC=C4
InChI
InChI=1S/C19H21NO/c1-2-6-15(7-3-1)10-11-20-13-16-12-17(14-20)21-19-9-5-4-8-18(16)19/h1-9,16-17H,10-14H2
InChIKey
IPCNCOIDQTYRLS-UHFFFAOYSA-N
Compound name
11-(2-phenylethyl)-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 164.5
[M+Na]+ 302.15154 169.7
[M-H]- 278.15504 169.2
[M+NH4]+ 297.19614 179.7
[M+K]+ 318.12548 165.2
[M+H-H2O]+ 262.15958 154.8
[M+HCOO]- 324.16052 178.5
[M+CH3COO]- 338.17617 174.4
[M+Na-2H]- 300.13699 171.8
[M]+ 279.16177 161.8
[M]- 279.16287 161.8
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.