CID 21361

5287-73-0

Structural Information

Molecular Formula
C19H25ClN2O
SMILES
CC(CN(C)C)OC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H25ClN2O/c1-13(12-22(2)3)23-19-15-7-5-4-6-8-17(15)21-18-10-9-14(20)11-16(18)19/h9-11,13H,4-8,12H2,1-3H3
InChIKey
ZTJRNJOQZRGRBZ-UHFFFAOYSA-N
Compound name
2-[(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 181.8
[M-H]- 331.15825 181.1
[M+NH4]+ 350.19935 191.0
[M+K]+ 371.12869 181.5
[M+H-H2O]+ 315.16279 168.5
[M+HCOO]- 377.16373 188.6
[M+CH3COO]- 391.17938 185.6
[M+Na-2H]- 353.14020 178.8
[M]+ 332.16498 175.8
[M]- 332.16608 175.8
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.