CID 29276

18833-57-3

Structural Information

Molecular Formula
C20H27ClN2O
SMILES
CC(CN(C)C)COC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H27ClN2O/c1-14(12-23(2)3)13-24-20-16-7-5-4-6-8-18(16)22-19-10-9-15(21)11-17(19)20/h9-11,14H,4-8,12-13H2,1-3H3
InChIKey
YWGYIZZDYLQSCJ-UHFFFAOYSA-N
Compound name
3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18118 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18846 180.2
[M+Na]+ 369.17040 185.9
[M-H]- 345.17390 185.4
[M+NH4]+ 364.21500 195.0
[M+K]+ 385.14434 185.4
[M+H-H2O]+ 329.17844 172.8
[M+HCOO]- 391.17938 192.8
[M+CH3COO]- 405.19503 220.2
[M+Na-2H]- 367.15585 182.8
[M]+ 346.18063 180.6
[M]- 346.18173 180.7
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.