CID 3067073

2(1h)-quinolinone, 3,4-dihydro-6-(1-oxo-3-(4-phenyl-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-21(18-6-8-20-17(16-18)7-9-22(27)23-20)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-6,8,16H,7,9-15H2,(H,23,27)
InChIKey
ANXUQYAKBBKZHV-UHFFFAOYSA-N
Compound name
6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

363.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.1
[M+Na]+ 386.18389 192.8
[M-H]- 362.18739 193.0
[M+NH4]+ 381.22849 197.2
[M+K]+ 402.15783 185.6
[M+H-H2O]+ 346.19193 177.6
[M+HCOO]- 408.19287 199.4
[M+CH3COO]- 422.20852 196.0
[M+Na-2H]- 384.16934 190.5
[M]+ 363.19412 182.1
[M]- 363.19522 182.1
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