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]+ 417.07604 192.5
[M+Na]+ 439.05798 200.6
[M-H]- 415.06148 199.5
[M+NH4]+ 434.10258 200.1
[M+K]+ 455.03192 195.6
[M+H-H2O]+ 399.06602 180.3
[M+HCOO]- 461.06696 210.1
[M+CH3COO]- 475.08261 229.0
[M+Na-2H]- 437.04343 195.1
[M]+ 416.06821 197.0
[M]- 416.06931 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.