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 178.9
[M+Na]+ 346.18899 182.8
[M-H]- 322.19249 182.8
[M+NH4]+ 341.23359 189.7
[M+K]+ 362.16293 180.7
[M+H-H2O]+ 306.19703 168.1
[M+HCOO]- 368.19797 188.8
[M+CH3COO]- 382.21362 186.3
[M+Na-2H]- 344.17444 181.0
[M]+ 323.19922 170.3
[M]- 323.20032 170.3
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.