CID 49767998

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

Structural Information

Molecular Formula
C11H12ClN3O3S2
SMILES
CC[C@H](C1=NNC(=S)O1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN3O3S2/c1-2-9(10-13-14-11(19)18-10)15-20(16,17)8-5-3-7(12)4-6-8/h3-6,9,15H,2H2,1H3,(H,14,19)/t9-/m1/s1
InChIKey
BCVGMFPDDBAQOG-SECBINFHSA-N
Compound name
4-chloro-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

333.00085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00813 170.8
[M+Na]+ 355.99007 180.6
[M-H]- 331.99357 175.1
[M+NH4]+ 351.03467 183.2
[M+K]+ 371.96401 174.5
[M+H-H2O]+ 315.99811 165.0
[M+HCOO]- 377.99905 176.7
[M+CH3COO]- 392.01470 200.2
[M+Na-2H]- 353.97552 171.8
[M]+ 333.00030 175.0
[M]- 333.00140 175.0
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.