CID 3003724

4-[(2e)-2-benzylidene-5-oxo-oxazol-4-yl]butanamide

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1=CC=C(C=C1)/C=C/2\N=C(C(=O)O2)CCCC(=O)N
InChI
InChI=1S/C14H14N2O3/c15-12(17)8-4-7-11-14(18)19-13(16-11)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,15,17)/b13-9+
InChIKey
FXGCJYRALVYFIT-UKTHLTGXSA-N
Compound name
4-[(2E)-2-benzylidene-5-oxo-1,3-oxazol-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.9
[M+Na]+ 281.08965 165.9
[M-H]- 257.09315 164.4
[M+NH4]+ 276.13425 174.0
[M+K]+ 297.06359 163.1
[M+H-H2O]+ 241.09769 151.0
[M+HCOO]- 303.09863 181.0
[M+CH3COO]- 317.11428 195.5
[M+Na-2H]- 279.07510 161.0
[M]+ 258.09988 159.0
[M]- 258.10098 159.0
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.