CID 199920

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

Structural Information

Molecular Formula
C13H22N6O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CN=C(N)N=C(N)N
InChI
InChI=1S/C13H22N6O2S/c1-3-19(4-2)22(20,21)11-7-5-10(6-8-11)9-17-13(16)18-12(14)15/h5-8H,3-4,9H2,1-2H3,(H6,14,15,16,17,18)
InChIKey
GACQOMZSWCZTGA-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[[4-(diethylsulfamoyl)phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1525 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15978 175.1
[M+Na]+ 349.14172 178.5
[M+NH4]+ 344.18632 179.3
[M+K]+ 365.11566 174.6
[M-H]- 325.14522 177.3
[M+Na-2H]- 347.12717 178.1
[M]+ 326.15195 175.8
[M]- 326.15305 175.8
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.