CID 3010784

2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C9H10N4O2S2
SMILES
CNC1=NN=C(S1)C2=CC=CC=C2S(=O)(=O)N
InChI
InChI=1S/C9H10N4O2S2/c1-11-9-13-12-8(16-9)6-4-2-3-5-7(6)17(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
InChIKey
ZBEAXIPDBQJYRX-UHFFFAOYSA-N
Compound name
2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0245 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03178 156.3
[M+Na]+ 293.01372 166.5
[M-H]- 269.01722 160.7
[M+NH4]+ 288.05832 171.9
[M+K]+ 308.98766 160.7
[M+H-H2O]+ 253.02176 149.3
[M+HCOO]- 315.02270 170.4
[M+CH3COO]- 329.03835 195.2
[M+Na-2H]- 290.99917 159.1
[M]+ 270.02395 157.7
[M]- 270.02505 157.7
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.