CID 389699

2-amino-4,5-diphenyl-3-furonitrile

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=CC=C3
InChI
InChI=1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2
InChIKey
BPFMLOQVCKVCAT-UHFFFAOYSA-N
Compound name
2-amino-4,5-diphenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

64
Patents

260.09497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 165.9
[M+Na]+ 283.08419 177.3
[M-H]- 259.08769 174.0
[M+NH4]+ 278.12879 180.5
[M+K]+ 299.05813 170.4
[M+H-H2O]+ 243.09223 151.4
[M+HCOO]- 305.09317 186.9
[M+CH3COO]- 319.10882 177.0
[M+Na-2H]- 281.06964 168.9
[M]+ 260.09442 160.3
[M]- 260.09552 160.3
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