CID 71743

Quinfamide

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
C1CC2=C(C=CC(=C2)OC(=O)C3=CC=CO3)N(C1)C(=O)C(Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2
InChIKey
SBJGFIXQRZOVTO-UHFFFAOYSA-N
Compound name
[1-(2,2-dichloroacetyl)-3,4-dihydro-2H-quinolin-6-yl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

678
Patents

353.02216 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02944 176.0
[M+Na]+ 376.01138 183.5
[M-H]- 352.01488 182.0
[M+NH4]+ 371.05598 190.0
[M+K]+ 391.98532 179.7
[M+H-H2O]+ 336.01942 169.5
[M+HCOO]- 398.02036 183.7
[M+CH3COO]- 412.03601 207.1
[M+Na-2H]- 373.99683 176.2
[M]+ 353.02161 180.3
[M]- 353.02271 180.3
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