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

8
Patents

179.07285 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08013 135.4
[M+Na]+ 202.06207 138.7
[M-H]- 178.06557 135.0
[M+NH4]+ 197.10667 150.2
[M+K]+ 218.03601 141.3
[M+H-H2O]+ 162.07011 127.8
[M+HCOO]- 224.07105 146.6
[M+CH3COO]- 238.08670 176.2
[M+Na-2H]- 200.04752 138.2
[M]+ 179.07230 126.8
[M]- 179.07340 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