CID 21812

5601-21-8

Structural Information

Molecular Formula
C19H25ClN2O
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=C1C=CC(=C3)Cl
InChI
InChI=1S/C19H25ClN2O/c1-22(2)11-6-12-23-19-15-7-4-3-5-8-17(15)21-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
CTSIKVWXBKPHDM-UHFFFAOYSA-N
Compound name
3-[(3-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 176.5
[M+Na]+ 355.15475 183.0
[M-H]- 331.15825 181.8
[M+NH4]+ 350.19935 191.9
[M+K]+ 371.12869 182.0
[M+H-H2O]+ 315.16279 169.1
[M+HCOO]- 377.16373 190.4
[M+CH3COO]- 391.17938 186.5
[M+Na-2H]- 353.14020 180.6
[M]+ 332.16498 177.2
[M]- 332.16608 177.2
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.