CID 91885415

Ar420626

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

1
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 198.5
[M+Na]+ 439.05868 207.0
[M-H]- 415.06218 206.5
[M+NH4]+ 434.10328 209.5
[M+K]+ 455.03262 199.9
[M+H-H2O]+ 399.06672 190.8
[M+HCOO]- 461.06766 205.5
[M+CH3COO]- 475.08331 207.3
[M+Na-2H]- 437.04413 196.4
[M]+ 416.06891 199.9
[M]- 416.07001 199.9
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.