CID 3067090

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

Structural Information

Molecular Formula
C25H33N3O2
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C25H33N3O2/c1-2-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-10-12-22-21(19-20)11-13-25(29)26-22/h3-4,8-10,12,19H,2,5-7,11,13-18H2,1H3,(H,26,29)
InChIKey
FVPTZVIDVHTZHA-UHFFFAOYSA-N
Compound name
6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

407.25726 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26454 205.0
[M+Na]+ 430.24648 207.2
[M-H]- 406.24998 207.5
[M+NH4]+ 425.29108 210.6
[M+K]+ 446.22042 199.5
[M+H-H2O]+ 390.25452 191.6
[M+HCOO]- 452.25546 213.9
[M+CH3COO]- 466.27111 209.9
[M+Na-2H]- 428.23193 204.0
[M]+ 407.25671 199.5
[M]- 407.25781 199.5
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