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]+ 307.23802 176.4
[M+Na]+ 329.21996 182.9
[M-H]- 305.22346 178.4
[M+NH4]+ 324.26456 193.2
[M+K]+ 345.19390 179.5
[M+H-H2O]+ 289.22800 168.9
[M+HCOO]- 351.22894 194.3
[M+CH3COO]- 365.24459 211.7
[M+Na-2H]- 327.20541 178.8
[M]+ 306.23019 178.9
[M]- 306.23129 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.