CID 6917216

N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine

Structural Information

Molecular Formula
C7H8N4S2
SMILES
C1=CSC(=C1)CNC2=NN=C(S2)N
InChI
InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
InChIKey
KYOKGDLJKFUPBK-UHFFFAOYSA-N
Compound name
2-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.01904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.026316 138.0
[M+Na]+ 235.008258 149.6
[M-H]- 211.011764 143.4
[M+NH4]+ 230.052863 158.3
[M+K]+ 250.982198 145.0
[M+H-H2O]+ 195.016300 131.5
[M+HCOO]- 257.017241 156.1
[M+CH3COO]- 271.032891 151.8
[M+Na-2H]- 232.993706 139.7
[M]+ 212.01849142 140.4
[M]- 212.01958858 140.4
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.