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

6
Patents

237.09021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 151.3
[M+Na]+ 260.079428 160.4
[M-H]- 236.082934 159.4
[M+NH4]+ 255.124033 165.9
[M+K]+ 276.053368 156.6
[M+H-H2O]+ 220.087470 142.0
[M+HCOO]- 282.088411 175.0
[M+CH3COO]- 296.104061 164.2
[M+Na-2H]- 258.064876 157.8
[M]+ 237.08966142 150.8
[M]- 237.09075858 150.8
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