CID 218364

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

Structural Information

Molecular Formula
C23H25N3
SMILES
CC1=CC2=C(C=C1)N=C3CCCC3=C2N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N3/c1-17-10-11-22-20(16-17)23(19-8-5-9-21(19)24-22)26-14-12-25(13-15-26)18-6-3-2-4-7-18/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3
InChIKey
BVMVWVHTEBDOLX-UHFFFAOYSA-N
Compound name
7-methyl-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

343.20483 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.212106 186.4
[M+Na]+ 366.194048 192.4
[M-H]- 342.197554 192.5
[M+NH4]+ 361.238653 198.5
[M+K]+ 382.167988 184.3
[M+H-H2O]+ 326.202090 174.0
[M+HCOO]- 388.203031 199.1
[M+CH3COO]- 402.218681 194.5
[M+Na-2H]- 364.179496 187.0
[M]+ 343.20428142 181.0
[M]- 343.20537858 181.0
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.