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]+ 283.180496 165.2
[M+Na]+ 305.162438 169.1
[M-H]- 281.165944 170.9
[M+NH4]+ 300.207043 177.6
[M+K]+ 321.136378 168.3
[M+H-H2O]+ 265.170480 155.9
[M+HCOO]- 327.171421 177.1
[M+CH3COO]- 341.187071 174.1
[M+Na-2H]- 303.147886 170.5
[M]+ 282.17267142 156.9
[M]- 282.17376858 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.