CID 516440

1-ethyl-6-isopropyl-2-(3-thienyl)quinolin-4-one

Structural Information

Molecular Formula
C18H19NOS
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C=C1C3=CSC=C3
InChI
InChI=1S/C18H19NOS/c1-4-19-16-6-5-13(12(2)3)9-15(16)18(20)10-17(19)14-7-8-21-11-14/h5-12H,4H2,1-3H3
InChIKey
HRWGINHLNFQYCT-UHFFFAOYSA-N
Compound name
1-ethyl-6-propan-2-yl-2-thiophen-3-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11874 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.126016 168.5
[M+Na]+ 320.107958 179.9
[M-H]- 296.111464 176.2
[M+NH4]+ 315.152563 186.8
[M+K]+ 336.081898 174.0
[M+H-H2O]+ 280.116000 161.5
[M+HCOO]- 342.116941 186.7
[M+CH3COO]- 356.132591 181.4
[M+Na-2H]- 318.093406 168.9
[M]+ 297.11819142 174.7
[M]- 297.11928858 174.7
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.