CID 121137

1617-94-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

patents stripe