CID 9550420

N-(4-chloro-2,5-dimethoxyphenyl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

Structural Information

Molecular Formula
C15H17ClN2O4
SMILES
CC(C)C1=CC(=NO1)C(=O)NC2=CC(=C(C=C2OC)Cl)OC
InChI
InChI=1S/C15H17ClN2O4/c1-8(2)12-7-11(18-22-12)15(19)17-10-6-13(20-3)9(16)5-14(10)21-4/h5-8H,1-4H3,(H,17,19)
InChIKey
NQKWRELILZFNQJ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.08768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09496 173.6
[M+Na]+ 347.07690 182.6
[M-H]- 323.08040 180.6
[M+NH4]+ 342.12150 187.9
[M+K]+ 363.05084 180.4
[M+H-H2O]+ 307.08494 166.5
[M+HCOO]- 369.08588 191.6
[M+CH3COO]- 383.10153 209.5
[M+Na-2H]- 345.06235 174.2
[M]+ 324.08713 181.6
[M]- 324.08823 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.