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]+ 346.119776 177.9
[M+Na]+ 368.101718 183.4
[M-H]- 344.105224 183.5
[M+NH4]+ 363.146323 190.0
[M+K]+ 384.075658 180.4
[M+H-H2O]+ 328.109760 167.9
[M+HCOO]- 390.110701 202.6
[M+CH3COO]- 404.126351 217.8
[M+Na-2H]- 366.087166 180.6
[M]+ 345.11195142 178.0
[M]- 345.11304858 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.