CID 503388

Gw 227x

Structural Information

Molecular Formula
C17H20ClNOS
SMILES
CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)SCC3CCC3
InChI
InChI=1S/C17H20ClNOS/c1-2-4-13-16(21-10-11-5-3-6-11)14-9-12(18)7-8-15(14)19-17(13)20/h7-9,11H,2-6,10H2,1H3,(H,19,20)
InChIKey
DDHGQXDAUSBTMK-UHFFFAOYSA-N
Compound name
6-chloro-4-(cyclobutylmethylsulfanyl)-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0954 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10268 163.9
[M+Na]+ 344.08462 171.6
[M-H]- 320.08812 168.1
[M+NH4]+ 339.12922 172.9
[M+K]+ 360.05856 167.1
[M+H-H2O]+ 304.09266 151.8
[M+HCOO]- 366.09360 172.1
[M+CH3COO]- 380.10925 206.9
[M+Na-2H]- 342.07007 164.7
[M]+ 321.09485 176.2
[M]- 321.09595 176.2
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.