CID 3051189

2,6-methano-4h-1,4-benzoxazocine, 3,4,5,6-tetrahydro-4-phenethyl-

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]+ 280.169596 164.5
[M+Na]+ 302.151538 169.7
[M-H]- 278.155044 169.2
[M+NH4]+ 297.196143 179.7
[M+K]+ 318.125478 165.2
[M+H-H2O]+ 262.159580 154.8
[M+HCOO]- 324.160521 178.5
[M+CH3COO]- 338.176171 174.4
[M+Na-2H]- 300.136986 171.8
[M]+ 279.16177142 161.8
[M]- 279.16286858 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.