CID 3039165

42469-36-3

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C(=O)NC
InChI
InChI=1S/C13H13N3O3/c1-14-11(17)9-10(12(18)15-2)19-13(16-9)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17)(H,15,18)
InChIKey
AENCZNUMNAFGRP-UHFFFAOYSA-N
Compound name
4-N,5-N-dimethyl-2-phenyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.102976 158.5
[M+Na]+ 282.084918 165.5
[M-H]- 258.088424 165.3
[M+NH4]+ 277.129523 173.7
[M+K]+ 298.058858 164.2
[M+H-H2O]+ 242.092960 150.4
[M+HCOO]- 304.093901 182.9
[M+CH3COO]- 318.109551 198.9
[M+Na-2H]- 280.070366 162.4
[M]+ 259.09515142 159.9
[M]- 259.09624858 159.9
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.