CID 21815

5605-45-8

Structural Information

Molecular Formula
C19H25ClN2O
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H25ClN2O/c1-22(2)11-6-12-23-19-15-7-4-3-5-8-17(15)21-18-10-9-14(20)13-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
VGCCDIILAHATNY-UHFFFAOYSA-N
Compound name
3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16553 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17281 175.6
[M+Na]+ 355.15475 187.5
[M+NH4]+ 350.19935 184.2
[M+K]+ 371.12869 179.9
[M-H]- 331.15825 179.4
[M+Na-2H]- 353.14020 181.0
[M]+ 332.16498 178.8
[M]- 332.16608 178.8
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.