CID 49767999

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

Structural Information

Molecular Formula
C12H15N3O4S2
SMILES
CC[C@H](C1=NNC(=S)O1)NS(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H15N3O4S2/c1-3-10(11-13-14-12(20)19-11)15-21(16,17)9-6-4-8(18-2)5-7-9/h4-7,10,15H,3H2,1-2H3,(H,14,20)/t10-/m1/s1
InChIKey
PFAJMXUDIRVDKK-SNVBAGLBSA-N
Compound name
4-methoxy-N-[(1R)-1-(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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05766 172.1
[M+Na]+ 352.03960 180.8
[M-H]- 328.04310 176.0
[M+NH4]+ 347.08420 183.7
[M+K]+ 368.01354 176.2
[M+H-H2O]+ 312.04764 165.3
[M+HCOO]- 374.04858 182.5
[M+CH3COO]- 388.06423 201.7
[M+Na-2H]- 350.02505 173.4
[M]+ 329.04983 176.3
[M]- 329.05093 176.3
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.