CID 206244

Urea, 1-amidino-3-sulfo-

Structural Information

Molecular Formula
C2H6N4O4S
SMILES
C(=NC(=O)NS(=O)(=O)O)(N)N
InChI
InChI=1S/C2H6N4O4S/c3-1(4)5-2(7)6-11(8,9)10/h(H,8,9,10)(H5,3,4,5,6,7)
InChIKey
PJRKIOAWDWYUEV-UHFFFAOYSA-N
Compound name
diaminomethylidenecarbamoylsulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01097 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01825 131.5
[M+Na]+ 205.00019 137.1
[M-H]- 181.00369 130.9
[M+NH4]+ 200.04479 149.2
[M+K]+ 220.97413 136.3
[M+H-H2O]+ 165.00823 125.0
[M+HCOO]- 227.00917 151.3
[M+CH3COO]- 241.02482 183.0
[M+Na-2H]- 202.98564 135.0
[M]+ 182.01042 128.3
[M]- 182.01152 128.3
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.