CID 516445

6-isobutoxy-1,3,5-trimethyl-2-(2-thienyl)quinolin-4-one

Structural Information

Molecular Formula
C20H23NO2S
SMILES
CC1=C(C=CC2=C1C(=O)C(=C(N2C)C3=CC=CS3)C)OCC(C)C
InChI
InChI=1S/C20H23NO2S/c1-12(2)11-23-16-9-8-15-18(13(16)3)20(22)14(4)19(21(15)5)17-7-6-10-24-17/h6-10,12H,11H2,1-5H3
InChIKey
RVECLJKUMMBOMN-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-6-(2-methylpropoxy)-2-thiophen-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14496 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15224 180.5
[M+Na]+ 364.13418 192.3
[M-H]- 340.13768 188.5
[M+NH4]+ 359.17878 197.4
[M+K]+ 380.10812 186.7
[M+H-H2O]+ 324.14222 173.4
[M+HCOO]- 386.14316 198.0
[M+CH3COO]- 400.15881 214.6
[M+Na-2H]- 362.11963 178.7
[M]+ 341.14441 189.6
[M]- 341.14551 189.6
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.