CID 836898

2-(4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C15H11N3O3
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3/c1-10-2-4-11(5-3-10)14-16-17-15(21-14)12-6-8-13(9-7-12)18(19)20/h2-9H,1H3
InChIKey
MKOUNTLDPGHNHQ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 160.6
[M+Na]+ 304.06927 177.2
[M+NH4]+ 299.11387 168.3
[M+K]+ 320.04321 174.7
[M-H]- 280.07277 168.3
[M+Na-2H]- 302.05472 170.5
[M]+ 281.07950 165.2
[M]- 281.08060 165.2
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.