CID 503379

Gw 036x

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OCC3CC3

InChI

InChI=1S/C16H18ClNO2/c1-2-3-12-15(20-9-10-4-5-10)13-8-11(17)6-7-14(13)18-16(12)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)

InChIKey

KLDYGOFCNGUEKA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 291.1026 Da
Monoisotopic Mass: 3.7
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]+	292.10988	165.0
[M+Na]+	314.09182	176.4
[M-H]-	290.09532	170.5
[M+NH4]+	309.13642	176.3
[M+K]+	330.06576	168.9
[M+H-H2O]+	274.09986	157.9
[M+HCOO]-	336.10080	180.7
[M+CH3COO]-	350.11645	202.5
[M+Na-2H]-	312.07727	169.0
[M]+	291.10205	171.3
[M]-	291.10315	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe