CID 3041662

N-phenyl-5-(3-pyridinyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C(C=C1)NC2=NN=C(O2)C3=CN=CC=C3
InChI
InChI=1S/C13H10N4O/c1-2-6-11(7-3-1)15-13-17-16-12(18-13)10-5-4-8-14-9-10/h1-9H,(H,15,17)
InChIKey
PLWSEIMDOOLZEO-UHFFFAOYSA-N
Compound name
N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08546 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 150.0
[M+Na]+ 261.07468 158.5
[M-H]- 237.07818 156.7
[M+NH4]+ 256.11928 163.0
[M+K]+ 277.04862 155.0
[M+H-H2O]+ 221.08272 139.6
[M+HCOO]- 283.08366 173.1
[M+CH3COO]- 297.09931 162.4
[M+Na-2H]- 259.06013 158.6
[M]+ 238.08491 150.0
[M]- 238.08601 150.0
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

No patent data available for this compound.