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 177.8
[M+Na]+ 338.14752 182.4
[M-H]- 314.15102 184.1
[M+NH4]+ 333.19212 190.5
[M+K]+ 354.12146 181.4
[M+H-H2O]+ 298.15556 169.2
[M+HCOO]- 360.15650 198.8
[M+CH3COO]- 374.17215 212.8
[M+Na-2H]- 336.13297 177.3
[M]+ 315.15775 179.4
[M]- 315.15885 179.4
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.