CID 199695

P-toluenesulfonamide, alpha-(3-amidinoguanidino)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C11H18N6O2S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CN=C(N)N=C(N)N
InChI
InChI=1S/C11H18N6O2S/c1-17(2)20(18,19)9-5-3-8(4-6-9)7-15-11(14)16-10(12)13/h3-6H,7H2,1-2H3,(H6,12,13,14,15,16)
InChIKey
JCKRYXOTVDCOJK-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1212 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12848 166.9
[M+Na]+ 321.11042 170.7
[M+NH4]+ 316.15502 171.4
[M+K]+ 337.08436 167.2
[M-H]- 297.11392 169.2
[M+Na-2H]- 319.09587 170.3
[M]+ 298.12065 167.7
[M]- 298.12175 167.7
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.