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]+ 198.015406 136.1
[M+Na]+ 219.997348 149.5
[M-H]- 196.000854 142.0
[M+NH4]+ 215.041953 157.7
[M+K]+ 235.971288 145.1
[M+H-H2O]+ 180.005390 130.5
[M+HCOO]- 242.006331 153.3
[M+CH3COO]- 256.021981 150.9
[M+Na-2H]- 217.982796 136.0
[M]+ 197.00758142 139.7
[M]- 197.00867858 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.