CID 834730

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]aniline

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,16H2,1H3
InChIKey
KNQBJBPPBWLEBN-UHFFFAOYSA-N
Compound name
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

251.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.7
[M+Na]+ 274.09509 166.3
[M-H]- 250.09859 165.0
[M+NH4]+ 269.13969 171.0
[M+K]+ 290.06903 162.2
[M+H-H2O]+ 234.10313 147.4
[M+HCOO]- 296.10407 180.0
[M+CH3COO]- 310.11972 169.5
[M+Na-2H]- 272.08054 161.8
[M]+ 251.10532 156.9
[M]- 251.10642 156.9
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.