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 190.9
[M+Na]+ 376.08569 197.5
[M-H]- 352.08919 195.6
[M+NH4]+ 371.13029 202.8
[M+K]+ 392.05963 190.3
[M+H-H2O]+ 336.09373 178.0
[M+HCOO]- 398.09467 198.3
[M+CH3COO]- 412.11032 219.0
[M+Na-2H]- 374.07114 191.0
[M]+ 353.09592 184.1
[M]- 353.09702 184.1
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.