CID 3054689

71605-58-8

Structural Information

Molecular Formula
C10H13N5S2
SMILES
C1=CC2=NSN=C2C(=C1)CNCCSC(=N)N
InChI
InChI=1S/C10H13N5S2/c11-10(12)16-5-4-13-6-7-2-1-3-8-9(7)15-17-14-8/h1-3,13H,4-6H2,(H3,11,12)
InChIKey
HZUOVZXQGHJLBR-UHFFFAOYSA-N
Compound name
2-(2,1,3-benzothiadiazol-4-ylmethylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06853 150.6
[M+Na]+ 290.05047 159.4
[M-H]- 266.05397 152.2
[M+NH4]+ 285.09507 167.3
[M+K]+ 306.02441 153.2
[M+H-H2O]+ 250.05851 143.6
[M+HCOO]- 312.05945 165.1
[M+CH3COO]- 326.07510 161.7
[M+Na-2H]- 288.03592 154.7
[M]+ 267.06070 152.2
[M]- 267.06180 152.2
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.