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]+ 239.092736 150.0
[M+Na]+ 261.074678 158.5
[M-H]- 237.078184 156.7
[M+NH4]+ 256.119283 163.0
[M+K]+ 277.048618 155.0
[M+H-H2O]+ 221.082720 139.6
[M+HCOO]- 283.083661 173.1
[M+CH3COO]- 297.099311 162.4
[M+Na-2H]- 259.060126 158.6
[M]+ 238.08491142 150.0
[M]- 238.08600858 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.