CID 507296

Quinoline, 8-ethyl-4-methyl-2-[(1-phenylethyl)sulfonyl]-

Structural Information

Molecular Formula
C20H21NO2S
SMILES
CCC1=C2C(=CC=C1)C(=CC(=N2)S(=O)(=O)C(C)C3=CC=CC=C3)C
InChI
InChI=1S/C20H21NO2S/c1-4-16-11-8-12-18-14(2)13-19(21-20(16)18)24(22,23)15(3)17-9-6-5-7-10-17/h5-13,15H,4H2,1-3H3
InChIKey
XVUVGMKZTHYNNU-UHFFFAOYSA-N
Compound name
8-ethyl-4-methyl-2-(1-phenylethylsulfonyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

339.1293 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13658 179.6
[M+Na]+ 362.11852 188.3
[M-H]- 338.12202 186.0
[M+NH4]+ 357.16312 193.4
[M+K]+ 378.09246 182.5
[M+H-H2O]+ 322.12656 171.3
[M+HCOO]- 384.12750 193.5
[M+CH3COO]- 398.14315 211.2
[M+Na-2H]- 360.10397 182.7
[M]+ 339.12875 183.7
[M]- 339.12985 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe