CID 21301

5231-43-6

Structural Information

Molecular Formula
C18H23ClN2O
SMILES
CN(C)CCOC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H23ClN2O/c1-21(2)10-11-22-18-14-6-4-3-5-7-16(14)20-17-9-8-13(19)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
MMNSGOJPQUVMMY-UHFFFAOYSA-N
Compound name
2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15718 171.2
[M+Na]+ 341.13912 183.3
[M+NH4]+ 336.18372 180.0
[M+K]+ 357.11306 175.9
[M-H]- 317.14262 175.1
[M+Na-2H]- 339.12457 176.9
[M]+ 318.14935 174.4
[M]- 318.15045 174.4
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.