CID 3054811

71795-26-1

Structural Information

Molecular Formula
C17H26ClN3O4S
SMILES
COC(CN=C(NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C17H26ClN3O4S/c1-24-16(25-2)12-19-17(20-14-6-4-3-5-7-14)21-26(22,23)15-10-8-13(18)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3,(H2,19,20,21)
InChIKey
ZYSDBKCIDXDRGY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-cyclohexyl-2-(2,2-dimethoxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13327 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14055 190.7
[M+Na]+ 426.12249 192.5
[M-H]- 402.12599 197.0
[M+NH4]+ 421.16709 202.0
[M+K]+ 442.09643 189.0
[M+H-H2O]+ 386.13053 183.0
[M+HCOO]- 448.13147 202.5
[M+CH3COO]- 462.14712 224.2
[M+Na-2H]- 424.10794 192.2
[M]+ 403.13272 192.8
[M]- 403.13382 192.8
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.