CID 503387

Gw 919x

Structural Information

Molecular Formula
C18H22ClNOS
SMILES
CCC(C)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)SC3CCCC3
InChI
InChI=1S/C18H22ClNOS/c1-3-11(2)16-17(22-13-6-4-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)
InChIKey
KWDMKYVMKIZJSU-UHFFFAOYSA-N
Compound name
3-butan-2-yl-6-chloro-4-cyclopentylsulfanyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.11105 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11833 178.0
[M+Na]+ 358.10027 186.5
[M-H]- 334.10377 182.9
[M+NH4]+ 353.14487 194.6
[M+K]+ 374.07421 178.9
[M+H-H2O]+ 318.10831 172.1
[M+HCOO]- 380.10925 185.8
[M+CH3COO]- 394.12490 188.2
[M+Na-2H]- 356.08572 174.9
[M]+ 335.11050 180.3
[M]- 335.11160 180.3
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.