CID 45051293

2-(4-ethylphenyl)-4-(4-morpholinyl)quinoline

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCOCC4
InChI
InChI=1S/C21H22N2O/c1-2-16-7-9-17(10-8-16)20-15-21(23-11-13-24-14-12-23)18-5-3-4-6-19(18)22-20/h3-10,15H,2,11-14H2,1H3
InChIKey
CCHHVWLFYHFQTR-UHFFFAOYSA-N
Compound name
4-[2-(4-ethylphenyl)quinolin-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 178.6
[M+Na]+ 341.162438 184.6
[M-H]- 317.165944 185.8
[M+NH4]+ 336.207043 189.0
[M+K]+ 357.136378 179.2
[M+H-H2O]+ 301.170480 166.8
[M+HCOO]- 363.171421 193.6
[M+CH3COO]- 377.187071 187.9
[M+Na-2H]- 339.147886 183.3
[M]+ 318.17267142 175.5
[M]- 318.17376858 175.5
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.