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 166.0
[M+Na]+ 321.11042 169.9
[M-H]- 297.11392 171.8
[M+NH4]+ 316.15502 180.4
[M+K]+ 337.08436 168.6
[M+H-H2O]+ 281.11846 156.9
[M+HCOO]- 343.11940 189.0
[M+CH3COO]- 357.13505 220.6
[M+Na-2H]- 319.09587 168.0
[M]+ 298.12065 164.2
[M]- 298.12175 164.2
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.