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 141.2
[M+Na]+ 239.05395 154.2
[M+NH4]+ 234.09855 148.4
[M+K]+ 255.02789 155.8
[M-H]- 215.05745 147.1
[M+Na-2H]- 237.03940 149.2
[M]+ 216.06418 144.6
[M]- 216.06528 144.6
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

No patent data available for this compound.