CID 453060

Quinoline, 2-(2-pyridinyl)-4-(4-thiomorpholinyl)-

Structural Information

Molecular Formula
C18H17N3S
SMILES
C1CSCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C18H17N3S/c1-2-6-15-14(5-1)18(21-9-11-22-12-10-21)13-17(20-15)16-7-3-4-8-19-16/h1-8,13H,9-12H2
InChIKey
WHCXDFIKXHNYOD-UHFFFAOYSA-N
Compound name
4-(2-pyridin-2-ylquinolin-4-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.11432 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12160 169.4
[M+Na]+ 330.10354 176.6
[M-H]- 306.10704 174.8
[M+NH4]+ 325.14814 181.0
[M+K]+ 346.07748 169.3
[M+H-H2O]+ 290.11158 158.6
[M+HCOO]- 352.11252 180.5
[M+CH3COO]- 366.12817 178.7
[M+Na-2H]- 328.08899 173.8
[M]+ 307.11377 166.1
[M]- 307.11487 166.1
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.