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]+ 428.092696 199.2
[M+Na]+ 450.074638 207.1
[M-H]- 426.078144 204.5
[M+NH4]+ 445.119243 207.6
[M+K]+ 466.048578 198.3
[M+H-H2O]+ 410.082680 189.2
[M+HCOO]- 472.083621 204.4
[M+CH3COO]- 486.099271 206.5
[M+Na-2H]- 448.060086 199.1
[M]+ 427.08487142 198.5
[M]- 427.08596858 198.5
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

No patent data available for this compound.