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 162.0
[M+Na]+ 304.06927 170.1
[M-H]- 280.07277 170.7
[M+NH4]+ 299.11387 174.3
[M+K]+ 320.04321 162.9
[M+H-H2O]+ 264.07731 156.9
[M+HCOO]- 326.07825 185.6
[M+CH3COO]- 340.09390 193.4
[M+Na-2H]- 302.05472 169.3
[M]+ 281.07950 162.2
[M]- 281.08060 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.