CID 3067078

6-(1-oxo-2-(4-(3-chlorophenyl)-1-piperazinyl)butyl)carbostyril

Structural Information

Molecular Formula
C23H24ClN3O2
SMILES
CCC(C(=O)C1=CC2=C(C=C1)NC(=O)C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H24ClN3O2/c1-2-21(23(29)17-6-8-20-16(14-17)7-9-22(28)25-20)27-12-10-26(11-13-27)19-5-3-4-18(24)15-19/h3-9,14-15,21H,2,10-13H2,1H3,(H,25,28)
InChIKey
LVCUAMMHDAVDEZ-UHFFFAOYSA-N
Compound name
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]butanoyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

409.1557 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16298 197.7
[M+Na]+ 432.14492 203.3
[M-H]- 408.14842 201.4
[M+NH4]+ 427.18952 204.3
[M+K]+ 448.11886 194.9
[M+H-H2O]+ 392.15296 185.8
[M+HCOO]- 454.15390 203.9
[M+CH3COO]- 468.16955 204.2
[M+Na-2H]- 430.13037 197.5
[M]+ 409.15515 195.1
[M]- 409.15625 195.1
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

patents stripe