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

10
Patents

363.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 190.1
[M+Na]+ 386.183888 192.8
[M-H]- 362.187394 193.0
[M+NH4]+ 381.228493 197.2
[M+K]+ 402.157828 185.6
[M+H-H2O]+ 346.191930 177.6
[M+HCOO]- 408.192871 199.4
[M+CH3COO]- 422.208521 196.0
[M+Na-2H]- 384.169336 190.5
[M]+ 363.19412142 182.1
[M]- 363.19521858 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