CID 3085555

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

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCOCCOCCN1C2=C(C=CC(=C2)NC(=O)C)[C@@H](CC1(C)C)C
InChI
InChI=1S/C20H32N2O3/c1-6-24-11-12-25-10-9-22-19-13-17(21-16(3)23)7-8-18(19)15(2)14-20(22,4)5/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,21,23)/t15-/m1/s1
InChIKey
YZQNQZZRLALPOT-OAHLLOKOSA-N
Compound name
N-[(4R)-1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.2413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 186.4
[M+Na]+ 371.23052 192.0
[M-H]- 347.23402 188.6
[M+NH4]+ 366.27512 201.6
[M+K]+ 387.20446 189.0
[M+H-H2O]+ 331.23856 178.6
[M+HCOO]- 393.23950 203.6
[M+CH3COO]- 407.25515 219.8
[M+Na-2H]- 369.21597 187.8
[M]+ 348.24075 190.7
[M]- 348.24185 190.7
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

patents stripe