CID 3040194

1-ethyl-5-(2-hydroxy-3-cyclohexylamino)propoxy-3,4-dihydrocarbostyril hydrochloride

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCN1C(=O)CCC2=C1C=CC=C2OCC(CNC3CCCCC3)O
InChI
InChI=1S/C20H30N2O3/c1-2-22-18-9-6-10-19(17(18)11-12-20(22)24)25-14-16(23)13-21-15-7-4-3-5-8-15/h6,9-10,15-16,21,23H,2-5,7-8,11-14H2,1H3
InChIKey
NHLBMLFCNHKAGJ-UHFFFAOYSA-N
Compound name
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.22565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 184.1
[M+Na]+ 369.214868 185.3
[M-H]- 345.218374 186.6
[M+NH4]+ 364.259473 195.3
[M+K]+ 385.188808 181.1
[M+H-H2O]+ 329.222910 174.6
[M+HCOO]- 391.223851 196.8
[M+CH3COO]- 405.239501 214.5
[M+Na-2H]- 367.200316 184.1
[M]+ 346.22510142 178.9
[M]- 346.22619858 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.