CID 215670

36063-63-5

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCN(CC1)C(=O)C2=C3CCCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H25N3O/c1-22-11-13-23(14-12-22)20(24)19-15-7-3-2-4-9-17(15)21-18-10-6-5-8-16(18)19/h5-6,8,10H,2-4,7,9,11-14H2,1H3
InChIKey
NLMDZXBADJRYLC-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-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

323.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 180.7
[M+Na]+ 346.18899 192.0
[M+NH4]+ 341.23359 188.1
[M+K]+ 362.16293 185.3
[M-H]- 322.19249 184.0
[M+Na-2H]- 344.17444 185.5
[M]+ 323.19922 183.2
[M]- 323.20032 183.2
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.