CID 218365

Brn 0846916

Structural Information

Molecular Formula
C24H27N3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=C4CCCC4=NC5=C3C=C(C=C5)C
InChI
InChI=1S/C24H27N3/c1-17-6-9-19(10-7-17)26-12-14-27(15-13-26)24-20-4-3-5-22(20)25-23-11-8-18(2)16-21(23)24/h6-11,16H,3-5,12-15H2,1-2H3
InChIKey
ZZTJGQQZAGQSGL-UHFFFAOYSA-N
Compound name
7-methyl-9-[4-(4-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

357.2205 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 191.9
[M+Na]+ 380.20972 198.3
[M-H]- 356.21322 198.2
[M+NH4]+ 375.25432 203.8
[M+K]+ 396.18366 190.1
[M+H-H2O]+ 340.21776 179.5
[M+HCOO]- 402.21870 204.2
[M+CH3COO]- 416.23435 199.9
[M+Na-2H]- 378.19517 191.2
[M]+ 357.21995 187.2
[M]- 357.22105 187.2
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.