CID 577837

3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)N
InChI
InChI=1S/C14H11N3O/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2
InChIKey
RTUMKDLRVKWGAS-UHFFFAOYSA-N
Compound name
3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.09021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 152.4
[M+Na]+ 260.07943 168.0
[M+NH4]+ 255.12403 161.0
[M+K]+ 276.05337 162.6
[M-H]- 236.08293 159.8
[M+Na-2H]- 258.06488 163.3
[M]+ 237.08966 156.8
[M]- 237.09076 156.8
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

patents stripe