CID 6869076

93758-56-6

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C14H14N2O3/c1-11-4-2-5-12(8-11)19-10-14(17)16-15-9-13-6-3-7-18-13/h2-9H,10H2,1H3,(H,16,17)/b15-9+
InChIKey
NUHSOVFNEWVLAT-OQLLNIDSSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.0
[M+Na]+ 281.08965 164.3
[M-H]- 257.09315 166.8
[M+NH4]+ 276.13425 175.0
[M+K]+ 297.06359 163.3
[M+H-H2O]+ 241.09769 150.0
[M+HCOO]- 303.09863 185.8
[M+CH3COO]- 317.11428 199.5
[M+Na-2H]- 279.07510 163.7
[M]+ 258.09988 161.3
[M]- 258.10098 161.3
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.