CID 3065061

4-(3-tert-butylamino-2-hydroxypropoxy)-1-methyl-2(1h)-quinolinone hydrochloride

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CC(C)(C)NCC(COC1=CC(=O)N(C2=CC=CC=C21)C)O
InChI
InChI=1S/C17H24N2O3/c1-17(2,3)18-10-12(20)11-22-15-9-16(21)19(4)14-8-6-5-7-13(14)15/h5-9,12,18,20H,10-11H2,1-4H3
InChIKey
CKEKRFMVZNVBST-UHFFFAOYSA-N
Compound name
4-[3-(tert-butylamino)-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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.3
[M+Na]+ 327.167898 180.2
[M-H]- 303.171404 175.1
[M+NH4]+ 322.212503 187.5
[M+K]+ 343.141838 176.9
[M+H-H2O]+ 287.175940 166.0
[M+HCOO]- 349.176881 191.3
[M+CH3COO]- 363.192531 207.5
[M+Na-2H]- 325.153346 178.0
[M]+ 304.17813142 176.3
[M]- 304.17922858 176.3
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.