CID 21295

6h-cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-, dihydrochloride

Structural Information

Molecular Formula
C19H26N2O
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H26N2O/c1-21(2)13-8-14-22-19-15-9-4-3-5-11-17(15)20-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3
InChIKey
LWOWZQTZJDWZOL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yloxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 169.9
[M+Na]+ 321.19372 173.9
[M-H]- 297.19722 175.3
[M+NH4]+ 316.23832 185.3
[M+K]+ 337.16766 174.3
[M+H-H2O]+ 281.20176 162.4
[M+HCOO]- 343.20270 187.9
[M+CH3COO]- 357.21835 179.8
[M+Na-2H]- 319.17917 175.0
[M]+ 298.20395 168.1
[M]- 298.20505 168.1
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.