CID 3065499

Brn 5977093

Structural Information

Molecular Formula
C21H21NO
SMILES
C1CCCC2=NC3=CC=CC=C3C(=C2CC1)OC4=CC=CC=C4
InChI
InChI=1S/C21H21NO/c1-2-7-14-19-17(12-6-1)21(23-16-10-4-3-5-11-16)18-13-8-9-15-20(18)22-19/h3-5,8-11,13,15H,1-2,6-7,12,14H2
InChIKey
DPOBFYDFYWDKLR-UHFFFAOYSA-N
Compound name
12-phenoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 165.6
[M+Na]+ 326.15154 169.7
[M-H]- 302.15504 168.3
[M+NH4]+ 321.19614 172.2
[M+K]+ 342.12548 167.8
[M+H-H2O]+ 286.15958 160.0
[M+HCOO]- 348.16052 172.9
[M+CH3COO]- 362.17617 169.2
[M+Na-2H]- 324.13699 166.1
[M]+ 303.16177 164.0
[M]- 303.16287 164.0
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.