CID 3056970

1-amidino-3-p-sulfophenylurea hydrochloride

Structural Information

Molecular Formula
C8H10N4O4S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)O
InChI
InChI=1S/C8H10N4O4S/c9-7(10)12-8(13)11-5-1-3-6(4-2-5)17(14,15)16/h1-4H,(H,14,15,16)(H5,9,10,11,12,13)
InChIKey
UZYQWUPLWFJKOO-UHFFFAOYSA-N
Compound name
4-(diaminomethylidenecarbamoylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04227 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04955 153.1
[M+Na]+ 281.03149 158.2
[M+NH4]+ 276.07609 157.3
[M+K]+ 297.00543 155.5
[M-H]- 257.03499 152.9
[M+Na-2H]- 279.01694 155.9
[M]+ 258.04172 153.4
[M]- 258.04282 153.4
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

No patent data available for this compound.