CID 3085560

7-amino-1-(2-(2-ethoxyethoxy)ethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCOCCOCCN1C2=C(C=CC(=C2)N)[C@@H](CC1(C)C)C
InChI
InChI=1S/C18H30N2O2/c1-5-21-10-11-22-9-8-20-17-12-15(19)6-7-16(17)14(2)13-18(20,3)4/h6-7,12,14H,5,8-11,13,19H2,1-4H3/t14-/m1/s1
InChIKey
BLYINPNOELVVCK-CQSZACIVSA-N
Compound name
(4R)-1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 176.4
[M+Na]+ 329.219958 182.9
[M-H]- 305.223464 178.4
[M+NH4]+ 324.264563 193.2
[M+K]+ 345.193898 179.5
[M+H-H2O]+ 289.228000 168.9
[M+HCOO]- 351.228941 194.3
[M+CH3COO]- 365.244591 211.7
[M+Na-2H]- 327.205406 178.8
[M]+ 306.23019142 178.9
[M]- 306.23128858 178.9
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.