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]+ 282.087326 162.0
[M+Na]+ 304.069268 170.1
[M-H]- 280.072774 170.7
[M+NH4]+ 299.113873 174.3
[M+K]+ 320.043208 162.9
[M+H-H2O]+ 264.077310 156.9
[M+HCOO]- 326.078251 185.6
[M+CH3COO]- 340.093901 193.4
[M+Na-2H]- 302.054716 169.3
[M]+ 281.07950142 162.2
[M]- 281.08059858 162.2
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.