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]+ 392.23326 200.2
[M+Na]+ 414.21520 203.3
[M-H]- 390.21870 203.0
[M+NH4]+ 409.25980 206.6
[M+K]+ 430.18914 195.2
[M+H-H2O]+ 374.22324 187.2
[M+HCOO]- 436.22418 209.8
[M+CH3COO]- 450.23983 205.7
[M+Na-2H]- 412.20065 199.8
[M]+ 391.22543 193.7
[M]- 391.22653 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