CID 2583

Carteolol

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)

InChIKey

LWAFSWPYPHEXKX-UHFFFAOYSA-N

Compound name

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 451
References: 28410
Patents: 292.17868 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.18596	170.4
[M+Na]+	315.16790	174.4
[M-H]-	291.17140	169.8
[M+NH4]+	310.21250	183.9
[M+K]+	331.14184	170.8
[M+H-H2O]+	275.17594	163.5
[M+HCOO]-	337.17688	184.4
[M+CH3COO]-	351.19253	201.5
[M+Na-2H]-	313.15335	174.1
[M]+	292.17813	168.0
[M]-	292.17923	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe