CID 209965

P-toluenesulfonamide, n-(benzylamidino)-, sulfate (2:1)

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)N
InChI
InChI=1S/C15H17N3O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,16,17,18)
InChIKey
RKFAHWSCULNBIR-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methylphenyl)sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

303.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 168.4
[M+Na]+ 326.09338 174.3
[M-H]- 302.09688 175.7
[M+NH4]+ 321.13798 183.0
[M+K]+ 342.06732 169.6
[M+H-H2O]+ 286.10142 159.9
[M+HCOO]- 348.10236 189.4
[M+CH3COO]- 362.11801 208.4
[M+Na-2H]- 324.07883 173.0
[M]+ 303.10361 168.4
[M]- 303.10471 168.4
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

patents stripe