CID 3065501

Brn 5997754

Structural Information

Molecular Formula
C24H25NO2
SMILES
CCC(=O)C1=CC=C(C=C1)OC2=C3CCCCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C24H25NO2/c1-2-23(26)17-13-15-18(16-14-17)27-24-19-9-5-3-4-6-11-21(19)25-22-12-8-7-10-20(22)24/h7-8,10,12-16H,2-6,9,11H2,1H3
InChIKey
IJKZOYIWNHJNKE-UHFFFAOYSA-N
Compound name
1-[4-(6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yloxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 176.3
[M+Na]+ 382.17776 180.1
[M-H]- 358.18126 178.9
[M+NH4]+ 377.22236 181.9
[M+K]+ 398.15170 178.2
[M+H-H2O]+ 342.18580 170.4
[M+HCOO]- 404.18674 182.7
[M+CH3COO]- 418.20239 179.2
[M+Na-2H]- 380.16321 175.0
[M]+ 359.18799 175.2
[M]- 359.18909 175.2
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.