CID 29278

18833-61-9

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCN(CC)CCOC1=C2CCCCCC2=NC3=C1C=CC(=C3)OC
InChI
InChI=1S/C21H30N2O2/c1-4-23(5-2)13-14-25-21-17-9-7-6-8-10-19(17)22-20-15-16(24-3)11-12-18(20)21/h11-12,15H,4-10,13-14H2,1-3H3
InChIKey
ZVOMAEFDIZSERF-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(3-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 182.1
[M+Na]+ 365.21996 185.9
[M-H]- 341.22346 187.4
[M+NH4]+ 360.26456 195.9
[M+K]+ 381.19390 186.9
[M+H-H2O]+ 325.22800 174.2
[M+HCOO]- 387.22894 199.5
[M+CH3COO]- 401.24459 220.8
[M+Na-2H]- 363.20541 185.6
[M]+ 342.23019 182.6
[M]- 342.23129 182.6
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.