CID 28819011

2-(furan-2-yl)-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C12H12N4O2
SMILES
C1CN(CCN1)C2=C(N=C(O2)C3=CC=CO3)C#N
InChI
InChI=1S/C12H12N4O2/c13-8-9-12(16-5-3-14-4-6-16)18-11(15-9)10-2-1-7-17-10/h1-2,7,14H,3-6H2
InChIKey
HFDRFJPQTZSDIB-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.09602 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 156.2
[M+Na]+ 267.08524 168.1
[M+NH4]+ 262.12984 159.5
[M+K]+ 283.05918 163.2
[M-H]- 243.08874 153.4
[M+Na-2H]- 265.07069 159.4
[M]+ 244.09547 156.2
[M]- 244.09657 156.2
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.