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]+ 260.10298 158.5
[M+Na]+ 282.08492 165.5
[M-H]- 258.08842 165.3
[M+NH4]+ 277.12952 173.7
[M+K]+ 298.05886 164.2
[M+H-H2O]+ 242.09296 150.4
[M+HCOO]- 304.09390 182.9
[M+CH3COO]- 318.10955 198.9
[M+Na-2H]- 280.07037 162.4
[M]+ 259.09515 159.9
[M]- 259.09625 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.