CID 21299

5231-42-5

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(CN(C)C)OC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H26N2O/c1-14(13-21(2)3)22-19-15-9-5-4-6-11-17(15)20-18-12-8-7-10-16(18)19/h7-8,10,12,14H,4-6,9,11,13H2,1-3H3
InChIKey
WDQLIMUGDRKUGU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 169.4
[M+Na]+ 321.19372 173.2
[M-H]- 297.19722 174.9
[M+NH4]+ 316.23832 184.8
[M+K]+ 337.16766 174.2
[M+H-H2O]+ 281.20176 162.2
[M+HCOO]- 343.20270 186.5
[M+CH3COO]- 357.21835 179.3
[M+Na-2H]- 319.17917 173.6
[M]+ 298.20395 167.1
[M]- 298.20505 167.1
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.