CID 5270582

Schembl6491637

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC(=O)N1C(OC(=N1)C2=CC=NC=C2)(C)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O2/c1-12(20)19-16(2,14-6-4-3-5-7-14)21-15(18-19)13-8-10-17-11-9-13/h3-11H,1-2H3
InChIKey
ZCAFARGFIFZHMS-UHFFFAOYSA-N
Compound name
1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 163.9
[M+Na]+ 304.10564 172.9
[M-H]- 280.10914 170.9
[M+NH4]+ 299.15024 177.7
[M+K]+ 320.07958 169.9
[M+H-H2O]+ 264.11368 153.9
[M+HCOO]- 326.11462 183.1
[M+CH3COO]- 340.13027 175.7
[M+Na-2H]- 302.09109 168.4
[M]+ 281.11587 165.1
[M]- 281.11697 165.1
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