CID 3056968

1-amidino-3-p-sulfamoylphenylurea hydrochloride

Structural Information

Molecular Formula
C8H11N5O3S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)N
InChI
InChI=1S/C8H11N5O3S/c9-7(10)13-8(14)12-5-1-3-6(4-2-5)17(11,15)16/h1-4H,(H2,11,15,16)(H5,9,10,12,13,14)
InChIKey
CHPBCYFTVZCULZ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05826 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.065536 151.9
[M+Na]+ 280.047478 157.2
[M-H]- 256.050984 155.3
[M+NH4]+ 275.092083 166.9
[M+K]+ 296.021418 154.6
[M+H-H2O]+ 240.055520 144.0
[M+HCOO]- 302.056461 173.2
[M+CH3COO]- 316.072111 203.1
[M+Na-2H]- 278.032926 155.1
[M]+ 257.05771142 148.0
[M]- 257.05880858 148.0
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.