CID 3010785

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

Structural Information

Molecular Formula
C11H12N4O2S2
SMILES
C=CCNC1=NN=C(S1)C2=CC=CC=C2S(=O)(=O)N
InChI
InChI=1S/C11H12N4O2S2/c1-2-7-13-11-15-14-10(18-11)8-5-3-4-6-9(8)19(12,16)17/h2-6H,1,7H2,(H,13,15)(H2,12,16,17)
InChIKey
GJPZRXDSBOIBRB-UHFFFAOYSA-N
Compound name
2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.04016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04744 164.4
[M+Na]+ 319.02938 173.9
[M-H]- 295.03288 168.5
[M+NH4]+ 314.07398 178.8
[M+K]+ 335.00332 167.1
[M+H-H2O]+ 279.03742 157.1
[M+HCOO]- 341.03836 178.0
[M+CH3COO]- 355.05401 200.2
[M+Na-2H]- 317.01483 166.3
[M]+ 296.03961 165.8
[M]- 296.04071 165.8
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.