CID 24705420

1,4-diazepane-1-sulfonamide

Structural Information

Molecular Formula
C5H13N3O2S
SMILES
C1CNCCN(C1)S(=O)(=O)N
InChI
InChI=1S/C5H13N3O2S/c6-11(9,10)8-4-1-2-7-3-5-8/h7H,1-5H2,(H2,6,9,10)
InChIKey
OWWXXNVDTAJQFY-UHFFFAOYSA-N
Compound name
1,4-diazepane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.07285 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.080126 135.4
[M+Na]+ 202.062068 138.7
[M-H]- 178.065574 135.0
[M+NH4]+ 197.106673 150.2
[M+K]+ 218.036008 141.3
[M+H-H2O]+ 162.070110 127.8
[M+HCOO]- 224.071051 146.6
[M+CH3COO]- 238.086701 176.2
[M+Na-2H]- 200.047516 138.2
[M]+ 179.07230142 126.8
[M]- 179.07339858 126.8
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

patents stripe