CID 6448083

6-(3-(4-(2-ethoxyphenyl)-1-piperazinyl)-1-propenyl)-3,4-dihydro-2(1h)-quinolinone

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C/C=C/C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H29N3O2/c1-2-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-9-11-21-20(18-19)10-12-24(28)25-21/h3-9,11,18H,2,10,12-17H2,1H3,(H,25,28)/b6-5+
InChIKey
IBAGCSRHNFKBQI-AATRIKPKSA-N
Compound name
6-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

391.22598 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.233256 200.2
[M+Na]+ 414.215198 203.3
[M-H]- 390.218704 203.0
[M+NH4]+ 409.259803 206.6
[M+K]+ 430.189138 195.2
[M+H-H2O]+ 374.223240 187.2
[M+HCOO]- 436.224181 209.8
[M+CH3COO]- 450.239831 205.7
[M+Na-2H]- 412.200646 199.8
[M]+ 391.22543142 193.7
[M]- 391.22652858 193.7
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