CID 2812029

5-(furan-2-yl)-n-methyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CNC1=NN=C(S1)C2=CC=CO2
InChI
InChI=1S/C7H7N3OS/c1-8-7-10-9-6(12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,10)
InChIKey
QPNKKRHSYLYLDX-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

181.03099 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 132.8
[M+Na]+ 204.02021 144.5
[M-H]- 180.02371 139.4
[M+NH4]+ 199.06481 153.2
[M+K]+ 219.99415 143.2
[M+H-H2O]+ 164.02825 126.3
[M+HCOO]- 226.02919 155.5
[M+CH3COO]- 240.04484 148.1
[M+Na-2H]- 202.00566 137.3
[M]+ 181.03044 137.6
[M]- 181.03154 137.6
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

No patent data available for this compound.