CID 218366

40527-88-6

Structural Information

Molecular Formula
C23H25N3O
SMILES
COC1=CC2=C(C=C1)N=C3CCCC3=C2N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N3O/c1-27-18-10-11-22-20(16-18)23(19-8-5-9-21(19)24-22)26-14-12-25(13-15-26)17-6-3-2-4-7-17/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3
InChIKey
HQRKOJHFDQQNAR-UHFFFAOYSA-N
Compound name
7-methoxy-9-(4-phenylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 189.2
[M+Na]+ 382.18899 195.0
[M-H]- 358.19249 195.4
[M+NH4]+ 377.23359 200.6
[M+K]+ 398.16293 187.7
[M+H-H2O]+ 342.19703 176.7
[M+HCOO]- 404.19797 202.1
[M+CH3COO]- 418.21362 197.2
[M+Na-2H]- 380.17444 190.0
[M]+ 359.19922 185.2
[M]- 359.20032 185.2
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.