CID 2393494

2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-n-(2-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C12H12ClN3O3
SMILES
COC1=CC=CC=C1NC(=O)CC2=NOC(=N2)CCl
InChI
InChI=1S/C12H12ClN3O3/c1-18-9-5-3-2-4-8(9)14-11(17)6-10-15-12(7-13)19-16-10/h2-5H,6-7H2,1H3,(H,14,17)
InChIKey
KOOCVRIEGRTBNC-UHFFFAOYSA-N
Compound name
2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.05673 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.064006 160.9
[M+Na]+ 304.045948 169.7
[M-H]- 280.049454 165.9
[M+NH4]+ 299.090553 175.0
[M+K]+ 320.019888 166.9
[M+H-H2O]+ 264.053990 152.5
[M+HCOO]- 326.054931 179.2
[M+CH3COO]- 340.070581 197.7
[M+Na-2H]- 302.031396 165.3
[M]+ 281.05618142 166.5
[M]- 281.05727858 166.5
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