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]+ 243.091016 150.5
[M+Na]+ 265.072958 156.5
[M-H]- 241.076464 153.9
[M+NH4]+ 260.117563 166.8
[M+K]+ 281.046898 153.0
[M+H-H2O]+ 225.081000 143.0
[M+HCOO]- 287.081941 171.3
[M+CH3COO]- 301.097591 199.5
[M+Na-2H]- 263.058406 153.6
[M]+ 242.08319142 148.0
[M]- 242.08428858 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.