CID 3042549

59918-44-4

Structural Information

Molecular Formula
C10H8N4O2
SMILES
C1=COC(=C1)C2=NN=C(N2N)C3=CC=CO3
InChI
InChI=1S/C10H8N4O2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2
InChIKey
PHTBIIMLGLUUFZ-UHFFFAOYSA-N
Compound name
3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.072006 139.9
[M+Na]+ 239.053948 151.0
[M-H]- 215.057454 148.7
[M+NH4]+ 234.098553 156.4
[M+K]+ 255.027888 150.6
[M+H-H2O]+ 199.061990 132.4
[M+HCOO]- 261.062931 165.6
[M+CH3COO]- 275.078581 154.6
[M+Na-2H]- 237.039396 144.1
[M]+ 216.06418142 143.8
[M]- 216.06527858 143.8
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.