CID 3039166

42469-39-6

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C(=O)NCC
InChI
InChI=1S/C15H17N3O3/c1-3-16-13(19)11-12(14(20)17-4-2)21-15(18-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKey
QACJFBZCOCJCGP-UHFFFAOYSA-N
Compound name
4-N,5-N-diethyl-2-phenyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 168.0
[M+Na]+ 310.11620 177.9
[M+NH4]+ 305.16080 173.6
[M+K]+ 326.09014 175.1
[M-H]- 286.11970 171.7
[M+Na-2H]- 308.10165 173.1
[M]+ 287.12643 170.0
[M]- 287.12753 170.0
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.