CID 73672

Isoxaben

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChIKey
PMHURSZHKKJGBM-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

98
References

28433
Patents

332.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.2
[M+Na]+ 355.16282 186.9
[M-H]- 331.16632 186.6
[M+NH4]+ 350.20742 193.1
[M+K]+ 371.13676 185.8
[M+H-H2O]+ 315.17086 172.2
[M+HCOO]- 377.17180 201.2
[M+CH3COO]- 391.18745 213.1
[M+Na-2H]- 353.14827 182.7
[M]+ 332.17305 186.8
[M]- 332.17415 186.8
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.