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]+ 296.21211 173.0
[M+Na]+ 318.19405 177.4
[M-H]- 294.19755 176.8
[M+NH4]+ 313.23865 185.0
[M+K]+ 334.16799 174.7
[M+H-H2O]+ 278.20209 162.2
[M+HCOO]- 340.20303 183.8
[M+CH3COO]- 354.21868 180.9
[M+Na-2H]- 316.17950 176.4
[M]+ 295.20428 163.9
[M]- 295.20538 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.