CID 16104535

4-methoxy-n-[3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

Structural Information

Molecular Formula
C12H15N3O4S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NCCCC2=NNC(=S)O2
InChI
InChI=1S/C12H15N3O4S2/c1-18-9-4-6-10(7-5-9)21(16,17)13-8-2-3-11-14-15-12(20)19-11/h4-7,13H,2-3,8H2,1H3,(H,15,20)
InChIKey
BBEAWMOJUHCYLZ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.05038 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05766 171.9
[M+Na]+ 352.03960 181.0
[M-H]- 328.04310 175.7
[M+NH4]+ 347.08420 183.6
[M+K]+ 368.01354 175.8
[M+H-H2O]+ 312.04764 165.0
[M+HCOO]- 374.04858 183.4
[M+CH3COO]- 388.06423 200.9
[M+Na-2H]- 350.02505 174.1
[M]+ 329.04983 176.6
[M]- 329.05093 176.6
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.