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]+ 305.18596 172.3
[M+Na]+ 327.16790 178.9
[M-H]- 303.17140 175.2
[M+NH4]+ 322.21250 186.9
[M+K]+ 343.14184 176.3
[M+H-H2O]+ 287.17594 164.0
[M+HCOO]- 349.17688 192.4
[M+CH3COO]- 363.19253 211.0
[M+Na-2H]- 325.15335 175.4
[M]+ 304.17813 177.1
[M]- 304.17923 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.