CID 3056966

1-p-sulfamoylphenylbiguanide hydrochloride

Structural Information

Molecular Formula
C8H12N6O2S
SMILES
C1=CC(=CC=C1N=CNN=C(N)N)S(=O)(=O)N
InChI
InChI=1S/C8H12N6O2S/c9-8(10)14-13-5-12-6-1-3-7(4-2-6)17(11,15)16/h1-5H,(H,12,13)(H4,9,10,14)(H2,11,15,16)
InChIKey
BQUBYIMUGDFMEO-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-N'-(4-sulfamoylphenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07425 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08153 150.1
[M+Na]+ 279.06347 155.4
[M-H]- 255.06697 154.8
[M+NH4]+ 274.10807 165.6
[M+K]+ 295.03741 152.6
[M+H-H2O]+ 239.07151 141.5
[M+HCOO]- 301.07245 174.6
[M+CH3COO]- 315.08810 208.3
[M+Na-2H]- 277.04892 155.3
[M]+ 256.07370 146.6
[M]- 256.07480 146.6
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.