CID 3067099

2(1h)-quinolinone, 3,4-dihydro-6-(4-(4-(4-chlorophenyl)-3,6-dihydro-1(2h)-pyridinyl)-1-oxobutyl)-

Structural Information

Molecular Formula
C24H25ClN2O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCCN3CCC(=CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H25ClN2O2/c25-21-7-3-17(4-8-21)18-11-14-27(15-12-18)13-1-2-23(28)20-5-9-22-19(16-20)6-10-24(29)26-22/h3-5,7-9,11,16H,1-2,6,10,12-15H2,(H,26,29)
InChIKey
KRMCFJTYRPOAEG-UHFFFAOYSA-N
Compound name
6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.16046 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16774 199.5
[M+Na]+ 431.14968 204.0
[M-H]- 407.15318 204.0
[M+NH4]+ 426.19428 207.5
[M+K]+ 447.12362 195.3
[M+H-H2O]+ 391.15772 188.1
[M+HCOO]- 453.15866 206.4
[M+CH3COO]- 467.17431 205.9
[M+Na-2H]- 429.13513 198.6
[M]+ 408.15991 195.9
[M]- 408.16101 195.9
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