CID 218369

40527-93-3

Structural Information

Molecular Formula
C22H22ClN3
SMILES
C1CC2=C(C3=C(C=CC(=C3)Cl)N=C2C1)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C22H22ClN3/c23-16-9-10-21-19(15-16)22(18-7-4-8-20(18)24-21)26-13-11-25(12-14-26)17-5-2-1-3-6-17/h1-3,5-6,9-10,15H,4,7-8,11-14H2
InChIKey
AQCLLLZMEXCHCV-UHFFFAOYSA-N
Compound name
7-chloro-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

363.15024 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15752 189.4
[M+Na]+ 386.13946 196.5
[M-H]- 362.14296 195.2
[M+NH4]+ 381.18406 201.5
[M+K]+ 402.11340 187.5
[M+H-H2O]+ 346.14750 177.0
[M+HCOO]- 408.14844 197.7
[M+CH3COO]- 422.16409 197.4
[M+Na-2H]- 384.12491 189.8
[M]+ 363.14969 185.9
[M]- 363.15079 185.9
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.