CID 22099

4-(4-morpholinyl)-2,3-pentamethylenequinoline

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCOCC4
InChI
InChI=1S/C18H22N2O/c1-2-6-14-16(8-3-1)19-17-9-5-4-7-15(17)18(14)20-10-12-21-13-11-20/h4-5,7,9H,1-3,6,8,10-13H2
InChIKey
BYLRUJWQQHVPTM-UHFFFAOYSA-N
Compound name
4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 165.2
[M+Na]+ 305.16244 169.1
[M-H]- 281.16594 170.9
[M+NH4]+ 300.20704 177.6
[M+K]+ 321.13638 168.3
[M+H-H2O]+ 265.17048 155.9
[M+HCOO]- 327.17142 177.1
[M+CH3COO]- 341.18707 174.1
[M+Na-2H]- 303.14789 170.5
[M]+ 282.17267 156.9
[M]- 282.17377 156.9
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.