CID 157871

2,6-dimethoxy-n-(3-(2-methoxy-1,1-dimethylethyl)-5-isoxazolyl)benzanamide

Structural Information

Molecular Formula
C17H22N2O5
SMILES
CC(C)(COC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
InChI
InChI=1S/C17H22N2O5/c1-17(2,10-21-3)13-9-14(24-19-13)18-16(20)15-11(22-4)7-6-8-12(15)23-5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKey
PSQPKPOZHJEOTQ-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

334.15286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 178.0
[M+Na]+ 357.14208 184.9
[M-H]- 333.14558 184.6
[M+NH4]+ 352.18668 190.7
[M+K]+ 373.11602 184.8
[M+H-H2O]+ 317.15012 170.1
[M+HCOO]- 379.15106 199.5
[M+CH3COO]- 393.16671 212.3
[M+Na-2H]- 355.12753 181.3
[M]+ 334.15231 185.7
[M]- 334.15341 185.7
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

patents stripe