CID 200824

(2-(1,1-dioxohexahydro-1,4-thiazepin-4-yl)ethyl)guanidine sulfate

Structural Information

Molecular Formula
C8H18N4O2S
SMILES
C1CN(CCS(=O)(=O)C1)CCN=C(N)N
InChI
InChI=1S/C8H18N4O2S/c9-8(10)11-2-4-12-3-1-6-15(13,14)7-5-12/h1-7H2,(H4,9,10,11)
InChIKey
JETHCXCOICUOKH-UHFFFAOYSA-N
Compound name
2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11505 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12233 148.4
[M+Na]+ 257.10427 150.8
[M-H]- 233.10777 151.1
[M+NH4]+ 252.14887 164.6
[M+K]+ 273.07821 153.9
[M+H-H2O]+ 217.11231 140.3
[M+HCOO]- 279.11325 164.3
[M+CH3COO]- 293.12890 195.7
[M+Na-2H]- 255.08972 149.8
[M]+ 234.11450 141.3
[M]- 234.11560 141.3
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.