CID 9802841

Sch-351591

Structural Information

Molecular Formula
C17H10Cl2F3N3O3
SMILES
COC1=C2C(=C(C=C1)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7,27H,1H3
InChIKey
NPGREARFJMFTDF-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1963
Patents

431.00513 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.01241 186.2
[M+Na]+ 453.99435 198.4
[M+NH4]+ 449.03895 190.1
[M+K]+ 469.96829 192.5
[M-H]- 429.99785 184.5
[M+Na-2H]- 451.97980 191.0
[M]+ 431.00458 187.7
[M]- 431.00568 187.7
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