CID 170455594

5-[(5-amino-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H5N5S3
SMILES
C1=C(SC(=N1)SC2=NN=C(S2)N)N
InChI
InChI=1S/C5H5N5S3/c6-2-1-8-4(11-2)13-5-10-9-3(7)12-5/h1H,6H2,(H2,7,9)
InChIKey
QQBFVBVTRLLAQK-UHFFFAOYSA-N
Compound name
5-[(5-amino-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9707 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.977976 138.5
[M+Na]+ 253.959918 152.3
[M-H]- 229.963424 142.1
[M+NH4]+ 249.004523 156.7
[M+K]+ 269.933858 145.6
[M+H-H2O]+ 213.967960 133.0
[M+HCOO]- 275.968901 149.5
[M+CH3COO]- 289.984551 151.5
[M+Na-2H]- 251.945366 138.3
[M]+ 230.97015142 139.7
[M]- 230.97124858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.