CID 49752

1,3,4-oxadiazole, 2-(isobutyrylamido)-5-phenyl-

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC(C)CC(=O)NC1=NN=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H15N3O2/c1-9(2)8-11(17)14-13-16-15-12(18-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17)
InChIKey
IXAUQZACRXSKQL-UHFFFAOYSA-N
Compound name
3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.3
[M+Na]+ 268.10564 163.0
[M-H]- 244.10914 161.2
[M+NH4]+ 263.15024 170.8
[M+K]+ 284.07958 161.6
[M+H-H2O]+ 228.11368 147.5
[M+HCOO]- 290.11462 177.9
[M+CH3COO]- 304.13027 194.6
[M+Na-2H]- 266.09109 160.3
[M]+ 245.11587 157.9
[M]- 245.11697 157.9
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.