CID 139033185

Dtxsid601028568

Structural Information

Molecular Formula
C19H14ClFN4O4
SMILES
CO/N=C(/C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)\C(=O)N
InChI
InChI=1S/C19H14ClFN4O4/c1-27-25-16(17(22)26)11-6-2-4-8-13(11)28-18-15(21)19(24-10-23-18)29-14-9-5-3-7-12(14)20/h2-10H,1H3,(H2,22,26)/b25-16-
InChIKey
DPNOYUYIQDKVTL-XYGWBWBKSA-N
Compound name
(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

416.06876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.076036 192.5
[M+Na]+ 439.057978 200.6
[M-H]- 415.061484 199.5
[M+NH4]+ 434.102583 200.1
[M+K]+ 455.031918 195.6
[M+H-H2O]+ 399.066020 180.3
[M+HCOO]- 461.066961 210.1
[M+CH3COO]- 475.082611 229.0
[M+Na-2H]- 437.043426 195.1
[M]+ 416.06821142 197.0
[M]- 416.06930858 197.0
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.