CID 516437

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

Structural Information

Molecular Formula
C17H17NOS
SMILES
CC(C)C1=CC2=C(C=C1)N(C(=CC2=O)C3=CC=CS3)C
InChI
InChI=1S/C17H17NOS/c1-11(2)12-6-7-14-13(9-12)16(19)10-15(18(14)3)17-5-4-8-20-17/h4-11H,1-3H3
InChIKey
XLPXPGXBYCGXGQ-UHFFFAOYSA-N
Compound name
1-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

283.1031 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11038 163.9
[M+Na]+ 306.09232 175.8
[M-H]- 282.09582 171.9
[M+NH4]+ 301.13692 182.8
[M+K]+ 322.06626 170.2
[M+H-H2O]+ 266.10036 157.2
[M+HCOO]- 328.10130 182.4
[M+CH3COO]- 342.11695 177.3
[M+Na-2H]- 304.07777 164.9
[M]+ 283.10255 169.8
[M]- 283.10365 169.8
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.