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

27799
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

literature stripe

Patent stripe

patents stripe