CID 3039167

Brn 1023115

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC(C)NC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C(=O)NC(C)C
InChI
InChI=1S/C17H21N3O3/c1-10(2)18-15(21)13-14(16(22)19-11(3)4)23-17(20-13)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,21)(H,19,22)
InChIKey
WCLGXTURDJMDGP-UHFFFAOYSA-N
Compound name
2-phenyl-4-N,5-N-di(propan-2-yl)-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 176.4
[M+Na]+ 338.14752 185.2
[M+NH4]+ 333.19212 181.4
[M+K]+ 354.12146 183.6
[M-H]- 314.15102 179.6
[M+Na-2H]- 336.13297 180.4
[M]+ 315.15775 178.1
[M]- 315.15885 178.1
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.