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 172.0
[M+Na]+ 341.13912 178.9
[M-H]- 317.14262 177.5
[M+NH4]+ 336.18372 188.0
[M+K]+ 357.11306 178.2
[M+H-H2O]+ 301.14716 164.8
[M+HCOO]- 363.14810 186.2
[M+CH3COO]- 377.16375 182.5
[M+Na-2H]- 339.12457 176.7
[M]+ 318.14935 172.4
[M]- 318.15045 172.4
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.