CID 22024

5782-96-7

Structural Information

Molecular Formula
C19H25N3
SMILES
CN1CCN(CC1)C2=C3CCCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C19H25N3/c1-21-11-13-22(14-12-21)19-15-7-3-2-4-9-17(15)20-18-10-6-5-8-16(18)19/h5-6,8,10H,2-4,7,9,11-14H2,1H3
InChIKey
OMJSADBYVOJWEF-UHFFFAOYSA-N
Compound name
11-(4-methylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.212106 173.0
[M+Na]+ 318.194048 177.4
[M-H]- 294.197554 176.8
[M+NH4]+ 313.238653 185.0
[M+K]+ 334.167988 174.7
[M+H-H2O]+ 278.202090 162.2
[M+HCOO]- 340.203031 183.8
[M+CH3COO]- 354.218681 180.9
[M+Na-2H]- 316.179496 176.4
[M]+ 295.20428142 163.9
[M]- 295.20537858 163.9
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

No patent data available for this compound.