CID 91885415

1798310-55-0

Structural Information

Molecular Formula
C21H18Cl2N2O3
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27)
InChIKey
GGTYQECCGLBHGS-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

416.06946 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07674 195.5
[M+Na]+ 439.05868 210.4
[M+NH4]+ 434.10328 203.1
[M+K]+ 455.03262 203.8
[M-H]- 415.06218 202.1
[M+Na-2H]- 437.04413 201.1
[M]+ 416.06891 200.1
[M]- 416.07001 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.