CID 218370

40527-98-8

Structural Information

Molecular Formula
C23H24BrN3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=C4CCCC4=NC5=C3C=C(C=C5)Br
InChI
InChI=1S/C23H24BrN3/c1-16-5-8-18(9-6-16)26-11-13-27(14-12-26)23-19-3-2-4-21(19)25-22-10-7-17(24)15-20(22)23/h5-10,15H,2-4,11-14H2,1H3
InChIKey
CWGXFDXOSNJCRX-UHFFFAOYSA-N
Compound name
7-bromo-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

421.11536 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12264 200.7
[M+Na]+ 444.10458 209.8
[M-H]- 420.10808 209.5
[M+NH4]+ 439.14918 214.0
[M+K]+ 460.07852 196.0
[M+H-H2O]+ 404.11262 196.6
[M+HCOO]- 466.11356 211.6
[M+CH3COO]- 480.12921 210.2
[M+Na-2H]- 442.09003 201.2
[M]+ 421.11481 214.5
[M]- 421.11591 214.5
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.