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]+ 217.07201 139.9
[M+Na]+ 239.05395 151.0
[M-H]- 215.05745 148.7
[M+NH4]+ 234.09855 156.4
[M+K]+ 255.02789 150.6
[M+H-H2O]+ 199.06199 132.4
[M+HCOO]- 261.06293 165.6
[M+CH3COO]- 275.07858 154.6
[M+Na-2H]- 237.03940 144.1
[M]+ 216.06418 143.8
[M]- 216.06528 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.