CID 3054808

71795-23-8

Structural Information

Molecular Formula
C16H20ClN3O2S
SMILES
C#CCN=C(NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H20ClN3O2S/c1-2-12-18-16(19-14-6-4-3-5-7-14)20-23(21,22)15-10-8-13(17)9-11-15/h1,8-11,14H,3-7,12H2,(H2,18,19,20)
InChIKey
ZPNJMQMOMYGVRP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-cyclohexyl-2-prop-2-ynylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09647 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10375 179.3
[M+Na]+ 376.08569 187.8
[M+NH4]+ 371.13029 182.7
[M+K]+ 392.05963 176.8
[M-H]- 352.08919 175.0
[M+Na-2H]- 374.07114 182.0
[M]+ 353.09592 178.9
[M]- 353.09702 178.9
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.