CID 2729704

853349-76-5

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1COCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI
InChI=1S/C17H16N2OS/c1-2-5-14-13(4-1)16(19-7-9-20-10-8-19)12-15(18-14)17-6-3-11-21-17/h1-6,11-12H,7-10H2
InChIKey
PAMYOMQUPSCXST-UHFFFAOYSA-N
Compound name
4-(2-thiophen-2-ylquinolin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 164.8
[M+Na]+ 319.08755 173.9
[M-H]- 295.09105 173.6
[M+NH4]+ 314.13215 179.4
[M+K]+ 335.06149 169.2
[M+H-H2O]+ 279.09559 156.3
[M+HCOO]- 341.09653 179.6
[M+CH3COO]- 355.11218 176.5
[M+Na-2H]- 317.07300 168.0
[M]+ 296.09778 165.4
[M]- 296.09888 165.4
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

No patent data available for this compound.