CID 35576615

3-(5-methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine

Structural Information

Molecular Formula
C7H7N3S2
SMILES
CC1=CC=C(S1)C2=NSC(=N2)N
InChI
InChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h2-3H,1H3,(H2,8,9,10)
InChIKey
BQWKKLSJRZRHII-UHFFFAOYSA-N
Compound name
3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00813 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01541 136.1
[M+Na]+ 219.99735 149.5
[M-H]- 196.00085 142.0
[M+NH4]+ 215.04195 157.7
[M+K]+ 235.97129 145.1
[M+H-H2O]+ 180.00539 130.5
[M+HCOO]- 242.00633 153.3
[M+CH3COO]- 256.02198 150.9
[M+Na-2H]- 217.98280 136.0
[M]+ 197.00758 139.7
[M]- 197.00868 139.7
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.