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]+ 182.038266 132.8
[M+Na]+ 204.020208 144.5
[M-H]- 180.023714 139.4
[M+NH4]+ 199.064813 153.2
[M+K]+ 219.994148 143.2
[M+H-H2O]+ 164.028250 126.3
[M+HCOO]- 226.029191 155.5
[M+CH3COO]- 240.044841 148.1
[M+Na-2H]- 202.005656 137.3
[M]+ 181.03044142 137.6
[M]- 181.03153858 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.