CID 23501

Brn 1143969

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)N4CCOCC4
InChI
InChI=1S/C19H22N2O2/c22-19(21-10-12-23-13-11-21)18-14-6-2-1-3-8-16(14)20-17-9-5-4-7-15(17)18/h4-5,7,9H,1-3,6,8,10-13H2
InChIKey
MVDQLOSFAHIAQA-UHFFFAOYSA-N
Compound name
morpholin-4-yl(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 171.5
[M+Na]+ 333.15734 174.9
[M-H]- 309.16084 177.1
[M+NH4]+ 328.20194 182.6
[M+K]+ 349.13128 174.7
[M+H-H2O]+ 293.16538 162.1
[M+HCOO]- 355.16632 182.4
[M+CH3COO]- 369.18197 179.8
[M+Na-2H]- 331.14279 175.4
[M]+ 310.16757 163.5
[M]- 310.16867 163.5
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.