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]+ 298.12602 168.5
[M+Na]+ 320.10796 179.9
[M-H]- 296.11146 176.2
[M+NH4]+ 315.15256 186.8
[M+K]+ 336.08190 174.0
[M+H-H2O]+ 280.11600 161.5
[M+HCOO]- 342.11694 186.7
[M+CH3COO]- 356.13259 181.4
[M+Na-2H]- 318.09341 168.9
[M]+ 297.11819 174.7
[M]- 297.11929 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.