CID 135459108

352012-43-2

Structural Information

Molecular Formula
C17H16FN3O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)F)O
InChI
InChI=1S/C17H16FN3O4/c1-2-25-15-9-11(3-8-14(15)22)10-19-21-17(24)16(23)20-13-6-4-12(18)5-7-13/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKey
LHZAPCAVMNVKID-VXLYETTFSA-N
Compound name
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11978 177.9
[M+Na]+ 368.10172 183.4
[M-H]- 344.10522 183.5
[M+NH4]+ 363.14632 190.0
[M+K]+ 384.07566 180.4
[M+H-H2O]+ 328.10976 167.9
[M+HCOO]- 390.11070 202.6
[M+CH3COO]- 404.12635 217.8
[M+Na-2H]- 366.08717 180.6
[M]+ 345.11195 178.0
[M]- 345.11305 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.