CID 5469110

Nsc683327

Structural Information

Molecular Formula
C18H12N4O2
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C18H12N4O2/c19-12-15(11-13-7-3-1-4-8-13)16(23)20-18-22-21-17(24-18)14-9-5-2-6-10-14/h1-11H,(H,20,22,23)/b15-11+
InChIKey
STEGJXCAMOUJQP-RVDMUPIBSA-N
Compound name
(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10332 179.0
[M+Na]+ 339.08526 191.4
[M+NH4]+ 334.12986 181.7
[M+K]+ 355.05920 183.2
[M-H]- 315.08876 176.6
[M+Na-2H]- 337.07071 184.2
[M]+ 316.09549 179.1
[M]- 316.09659 179.1
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

No patent data available for this compound.