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

6
Patents

393.24164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 200.8
[M+Na]+ 416.23086 203.5
[M-H]- 392.23436 203.5
[M+NH4]+ 411.27546 207.1
[M+K]+ 432.20480 196.0
[M+H-H2O]+ 376.23890 187.7
[M+HCOO]- 438.23984 210.1
[M+CH3COO]- 452.25549 206.1
[M+Na-2H]- 414.21631 200.3
[M]+ 393.24109 195.0
[M]- 393.24219 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