CID 486229

1-(2-furyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

Structural Information

Molecular Formula
C19H12N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CO5
InChI
InChI=1S/C19H12N4O/c1-2-7-13(8-3-1)17-19-22-21-18(16-11-6-12-24-16)23(19)15-10-5-4-9-14(15)20-17/h1-12H
InChIKey
LYXKTSITCKNFAD-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1011 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10838 169.7
[M+Na]+ 335.09032 182.8
[M-H]- 311.09382 178.6
[M+NH4]+ 330.13492 182.9
[M+K]+ 351.06426 176.6
[M+H-H2O]+ 295.09836 159.3
[M+HCOO]- 357.09930 191.2
[M+CH3COO]- 371.11495 182.3
[M+Na-2H]- 333.07577 176.3
[M]+ 312.10055 174.8
[M]- 312.10165 174.8
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.