CID 507210

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-n-(5-methylisoxazol-3-yl)benzamide

Structural Information

Molecular Formula
C19H15Cl2N3O4
SMILES
CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H15Cl2N3O4/c1-11-7-17(24-28-11)23-19(26)12-3-2-4-14(8-12)22-18(25)10-27-16-6-5-13(20)9-15(16)21/h2-9H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKey
HFMKDJNEGDPDRP-UHFFFAOYSA-N
Compound name
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.04398 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05126 196.7
[M+Na]+ 442.03320 204.8
[M-H]- 418.03670 205.8
[M+NH4]+ 437.07780 206.6
[M+K]+ 458.00714 200.0
[M+H-H2O]+ 402.04124 188.2
[M+HCOO]- 464.04218 210.7
[M+CH3COO]- 478.05783 225.1
[M+Na-2H]- 440.01865 197.1
[M]+ 419.04343 203.7
[M]- 419.04453 203.7
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.