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

0
Patents

346.22565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 184.1
[M+Na]+ 369.21487 185.3
[M-H]- 345.21837 186.6
[M+NH4]+ 364.25947 195.3
[M+K]+ 385.18881 181.1
[M+H-H2O]+ 329.22291 174.6
[M+HCOO]- 391.22385 196.8
[M+CH3COO]- 405.23950 214.5
[M+Na-2H]- 367.20032 184.1
[M]+ 346.22510 178.9
[M]- 346.22620 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.