CID 6446855

67293-77-0

Structural Information

Molecular Formula
C20H21NO
SMILES
C1C2CN(CC1OC3=CC=CC=C23)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C20H21NO/c1-2-7-16(8-3-1)9-6-12-21-14-17-13-18(15-21)22-20-11-5-4-10-19(17)20/h1-11,17-18H,12-15H2/b9-6+
InChIKey
CYKYEIQTXPYZCD-RMKNXTFCSA-N
Compound name
11-[(E)-3-phenylprop-2-enyl]-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

1
Patents

291.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 168.2
[M+Na]+ 314.15154 173.4
[M-H]- 290.15504 172.8
[M+NH4]+ 309.19614 183.0
[M+K]+ 330.12548 168.1
[M+H-H2O]+ 274.15958 158.4
[M+HCOO]- 336.16052 182.1
[M+CH3COO]- 350.17617 177.8
[M+Na-2H]- 312.13699 175.0
[M]+ 291.16177 165.1
[M]- 291.16287 165.1
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.