CID 11789888

2-amino-4-phenylfuran-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C(C=C1)C2=COC(=C2C#N)N
InChI
InChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKey
QNGBQONBZBPFQI-UHFFFAOYSA-N
Compound name
2-amino-4-phenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

184.06366 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 142.0
[M+Na]+ 207.052878 153.2
[M-H]- 183.056384 148.0
[M+NH4]+ 202.097483 159.7
[M+K]+ 223.026818 149.3
[M+H-H2O]+ 167.060920 128.8
[M+HCOO]- 229.061861 163.7
[M+CH3COO]- 243.077511 154.6
[M+Na-2H]- 205.038326 147.1
[M]+ 184.06311142 136.6
[M]- 184.06420858 136.6
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

patents stripe