CID 3040190

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

Structural Information

Molecular Formula
C18H26N2O3
SMILES
C1CCC(CC1)NCC(COC2=CC=CC3=C2CCC(=O)N3)O
InChI
InChI=1S/C18H26N2O3/c21-14(11-19-13-5-2-1-3-6-13)12-23-17-8-4-7-16-15(17)9-10-18(22)20-16/h4,7-8,13-14,19,21H,1-3,5-6,9-12H2,(H,20,22)
InChIKey
QEAPFVIPRPQOBF-UHFFFAOYSA-N
Compound name
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.19434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 177.1
[M+Na]+ 341.18356 185.8
[M+NH4]+ 336.22816 183.8
[M+K]+ 357.15750 179.6
[M-H]- 317.18706 179.7
[M+Na-2H]- 339.16901 180.4
[M]+ 318.19379 178.6
[M]- 318.19489 178.6
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.