CID 3087095

6h-cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(4-(4-chlorophenyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C24H26ClN3
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCN(CC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H26ClN3/c25-18-10-12-19(13-11-18)27-14-16-28(17-15-27)24-20-6-2-1-3-8-22(20)26-23-9-5-4-7-21(23)24/h4-5,7,9-13H,1-3,6,8,14-17H2
InChIKey
WOOHLHGBYRZPDI-UHFFFAOYSA-N
Compound name
11-[4-(4-chlorophenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.18152 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18880 200.2
[M+Na]+ 414.17074 215.2
[M+NH4]+ 409.21534 209.0
[M+K]+ 430.14468 205.1
[M-H]- 390.17424 206.8
[M+Na-2H]- 412.15619 207.9
[M]+ 391.18097 204.8
[M]- 391.18207 204.8
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.