CID 516439

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

Structural Information

Molecular Formula
C19H21NOS
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C(=C1C3=CC=CS3)C
InChI
InChI=1S/C19H21NOS/c1-5-20-16-9-8-14(12(2)3)11-15(16)19(21)13(4)18(20)17-7-6-10-22-17/h6-12H,5H2,1-4H3
InChIKey
UOYKCBAMKGUYGI-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-6-propan-2-yl-2-thiophen-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1344 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14168 172.6
[M+Na]+ 334.12362 184.4
[M-H]- 310.12712 180.5
[M+NH4]+ 329.16822 190.6
[M+K]+ 350.09756 178.3
[M+H-H2O]+ 294.13166 165.7
[M+HCOO]- 356.13260 190.4
[M+CH3COO]- 370.14825 185.4
[M+Na-2H]- 332.10907 171.9
[M]+ 311.13385 179.6
[M]- 311.13495 179.6
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.