CID 259999

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

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c1-11-7-5-6-10-13(11)15-17-16-14(18-15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey
ZCRJBSKEADQYHE-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

61
Patents

236.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 151.5
[M+Na]+ 259.08418 161.1
[M-H]- 235.08768 159.9
[M+NH4]+ 254.12878 166.8
[M+K]+ 275.05812 157.6
[M+H-H2O]+ 219.09222 142.4
[M+HCOO]- 281.09316 174.4
[M+CH3COO]- 295.10881 164.8
[M+Na-2H]- 257.06963 157.8
[M]+ 236.09441 152.9
[M]- 236.09551 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe