CID 218367

7-methoxy-9-(4-(2-methylphenyl)-1-piperazinyl)-2,3-dihydro-1h-cyclopenta(b)quinoline

Structural Information

Molecular Formula
C24H27N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3=C4CCCC4=NC5=C3C=C(C=C5)OC
InChI
InChI=1S/C24H27N3O/c1-17-6-3-4-9-23(17)26-12-14-27(15-13-26)24-19-7-5-8-21(19)25-22-11-10-18(28-2)16-20(22)24/h3-4,6,9-11,16H,5,7-8,12-15H2,1-2H3
InChIKey
VVWAQVRTZWSURP-UHFFFAOYSA-N
Compound name
7-methoxy-9-[4-(2-methylphenyl)piperazin-1-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 194.8
[M+Na]+ 396.20464 201.0
[M-H]- 372.20814 201.2
[M+NH4]+ 391.24924 205.9
[M+K]+ 412.17858 193.5
[M+H-H2O]+ 356.21268 182.3
[M+HCOO]- 418.21362 207.3
[M+CH3COO]- 432.22927 202.7
[M+Na-2H]- 394.19009 194.3
[M]+ 373.21487 191.5
[M]- 373.21597 191.5
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.