CID 507213

N-(5-methylisoxazol-3-yl)-4-[(2-phenoxyacetyl)amino]benzamide

Structural Information

Molecular Formula
C19H17N3O4
SMILES
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O4/c1-13-11-17(22-26-13)21-19(24)14-7-9-15(10-8-14)20-18(23)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKey
BXKLRNCFRLCLST-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-4-[(2-phenoxyacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.12192 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 181.4
[M+Na]+ 374.11114 186.6
[M-H]- 350.11464 190.8
[M+NH4]+ 369.15574 192.0
[M+K]+ 390.08508 184.4
[M+H-H2O]+ 334.11918 171.4
[M+HCOO]- 396.12012 205.2
[M+CH3COO]- 410.13577 215.2
[M+Na-2H]- 372.09659 184.7
[M]+ 351.12137 183.7
[M]- 351.12247 183.7
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.