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

patents stripe