CID 3354191

476482-98-1

Structural Information

Molecular Formula
C22H19Cl2N3O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C(=CC=C3)Cl)Cl)C(=O)NC4=CN=CC=C4
InChI
InChI=1S/C22H19Cl2N3O2/c1-12-18(22(29)27-13-5-4-10-25-11-13)19(14-6-2-7-15(23)21(14)24)20-16(26-12)8-3-9-17(20)28/h2,4-7,10-11,19,26H,3,8-9H2,1H3,(H,27,29)
InChIKey
FGNAIAAWNHNLML-UHFFFAOYSA-N
Compound name
4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.08542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.09270 199.6
[M+Na]+ 450.07464 216.1
[M+NH4]+ 445.11924 207.2
[M+K]+ 466.04858 206.4
[M-H]- 426.07814 205.5
[M+Na-2H]- 448.06009 207.2
[M]+ 427.08487 204.3
[M]- 427.08597 204.3
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

No patent data available for this compound.