CID 45050918

6-chloro-4-(4-morpholinyl)-2-phenylquinoline

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1COCCN1C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O/c20-15-6-7-17-16(12-15)19(22-8-10-23-11-9-22)13-18(21-17)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKey
XKDKQUBPJFYAPO-UHFFFAOYSA-N
Compound name
4-(6-chloro-2-phenylquinolin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.10294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.110216 176.3
[M+Na]+ 347.092158 183.9
[M-H]- 323.095664 183.5
[M+NH4]+ 342.136763 187.4
[M+K]+ 363.066098 177.7
[M+H-H2O]+ 307.100200 165.1
[M+HCOO]- 369.101141 187.3
[M+CH3COO]- 383.116791 186.0
[M+Na-2H]- 345.077606 181.5
[M]+ 324.10239142 174.9
[M]- 324.10348858 174.9
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

patents stripe