CID 16765258

3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide

Structural Information

Molecular Formula
C6H5N5O3
SMILES
CC1=NON=C1C2=NOC(=N2)C(=O)N
InChI
InChI=1S/C6H5N5O3/c1-2-3(10-14-9-2)5-8-6(4(7)12)13-11-5/h1H3,(H2,7,12)
InChIKey
RWIQUZFYONFFRJ-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03925 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04653 136.2
[M+Na]+ 218.02847 147.8
[M-H]- 194.03197 140.4
[M+NH4]+ 213.07307 150.5
[M+K]+ 234.00241 148.4
[M+H-H2O]+ 178.03651 127.9
[M+HCOO]- 240.03745 159.1
[M+CH3COO]- 254.05310 150.3
[M+Na-2H]- 216.01392 141.6
[M]+ 195.03870 140.6
[M]- 195.03980 140.6
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

No patent data available for this compound.