CID 3067091

80834-63-5

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H31N3O2/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/h3-4,7-9,11,18H,2,5-6,10,12-17H2,1H3,(H,25,28)
InChIKey
LNNZZDORFCHETO-UHFFFAOYSA-N
Compound name
6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

393.24164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 200.8
[M+Na]+ 416.230858 203.5
[M-H]- 392.234364 203.5
[M+NH4]+ 411.275463 207.1
[M+K]+ 432.204798 196.0
[M+H-H2O]+ 376.238900 187.7
[M+HCOO]- 438.239841 210.1
[M+CH3COO]- 452.255491 206.1
[M+Na-2H]- 414.216306 200.3
[M]+ 393.24109142 195.0
[M]- 393.24218858 195.0
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