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]+ 305.18596 173.3
[M+Na]+ 327.16790 180.2
[M-H]- 303.17140 175.1
[M+NH4]+ 322.21250 187.5
[M+K]+ 343.14184 176.9
[M+H-H2O]+ 287.17594 166.0
[M+HCOO]- 349.17688 191.3
[M+CH3COO]- 363.19253 207.5
[M+Na-2H]- 325.15335 178.0
[M]+ 304.17813 176.3
[M]- 304.17923 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.