CID 503377

Gw 500x

Structural Information

Molecular Formula

C₁₉H₂₄ClNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OCC3CCCCC3

InChI

InChI=1S/C19H24ClNO2/c1-2-6-15-18(23-12-13-7-4-3-5-8-13)16-11-14(20)9-10-17(16)21-19(15)22/h9-11,13H,2-8,12H2,1H3,(H,21,22)

InChIKey

MUZJGRQOUCTDTF-UHFFFAOYSA-N

Compound name

6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 333.14957 Da
Monoisotopic Mass: 5.4
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]+	334.15685	178.8
[M+Na]+	356.13879	185.7
[M-H]-	332.14229	182.6
[M+NH4]+	351.18339	192.5
[M+K]+	372.11273	178.4
[M+H-H2O]+	316.14683	170.5
[M+HCOO]-	378.14777	190.0
[M+CH3COO]-	392.16342	207.5
[M+Na-2H]-	354.12424	180.4
[M]+	333.14902	178.5
[M]-	333.15012	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe