CID 3079215

4-(3-(diethylamino)-2-hydroxypropoxy)-1-methyl-2(1h)-quinolinone monohydrochloride

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCN(CC)CC(COC1=CC(=O)N(C2=CC=CC=C21)C)O
InChI
InChI=1S/C17H24N2O3/c1-4-19(5-2)11-13(20)12-22-16-10-17(21)18(3)15-9-7-6-8-14(15)16/h6-10,13,20H,4-5,11-12H2,1-3H3
InChIKey
GYBHGXWQAMCHGU-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)-2-hydroxypropoxy]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 172.3
[M+Na]+ 327.167898 178.9
[M-H]- 303.171404 175.2
[M+NH4]+ 322.212503 186.9
[M+K]+ 343.141838 176.3
[M+H-H2O]+ 287.175940 164.0
[M+HCOO]- 349.176881 192.4
[M+CH3COO]- 363.192531 211.0
[M+Na-2H]- 325.153346 175.4
[M]+ 304.17813142 177.1
[M]- 304.17922858 177.1
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.