CID 8098235

1803593-22-7

Structural Information

Molecular Formula
C9H14N4O2S
SMILES
C1=CC(=CC=C1CCN=C(N)N)S(=O)(=O)N
InChI
InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)
InChIKey
ATGYLEPPYIZRBE-UHFFFAOYSA-N
Compound name
2-[2-(4-sulfamoylphenyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08374 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09102 150.5
[M+Na]+ 265.07296 156.5
[M-H]- 241.07646 153.9
[M+NH4]+ 260.11756 166.8
[M+K]+ 281.04690 153.0
[M+H-H2O]+ 225.08100 143.0
[M+HCOO]- 287.08194 171.3
[M+CH3COO]- 301.09759 199.5
[M+Na-2H]- 263.05841 153.6
[M]+ 242.08319 148.0
[M]- 242.08429 148.0
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.