CID 135431471

4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NCCCC(=O)O
InChI
InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,19H,4,7-8H2,(H,17,18)
InChIKey
RXQQQCJIZJZOBT-UHFFFAOYSA-N
Compound name
4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.09537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 161.0
[M+Na]+ 297.084588 168.1
[M-H]- 273.088094 166.1
[M+NH4]+ 292.129193 175.1
[M+K]+ 313.058528 165.8
[M+H-H2O]+ 257.092630 153.1
[M+HCOO]- 319.093571 183.7
[M+CH3COO]- 333.109221 196.3
[M+Na-2H]- 295.070036 164.8
[M]+ 274.09482142 163.8
[M]- 274.09591858 163.8
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

patents stripe