CID 139595761

Ns00000801

Structural Information

Molecular Formula
C4H11N5O4S
SMILES
CN(COS(=O)(=O)O)C(=N)N=C(N)N
InChI
InChI=1S/C4H11N5O4S/c1-9(2-13-14(10,11)12)4(7)8-3(5)6/h2H2,1H3,(H,10,11,12)(H5,5,6,7,8)
InChIKey
KJZXSRVECIMXQX-UHFFFAOYSA-N
Compound name
[[N-(diaminomethylidene)carbamimidoyl]-methylamino]methyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05318 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.060456 143.0
[M+Na]+ 248.042398 147.0
[M-H]- 224.045904 143.5
[M+NH4]+ 243.087003 159.2
[M+K]+ 264.016338 147.4
[M+H-H2O]+ 208.050440 135.5
[M+HCOO]- 270.051381 163.6
[M+CH3COO]- 284.067031 197.9
[M+Na-2H]- 246.027846 145.6
[M]+ 225.05263142 141.0
[M]- 225.05372858 141.0
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.