CID 214696

M-methanesulfonamidomandelamidine monohydrochloride

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)C(C(=N)N)O
InChI
InChI=1S/C9H13N3O3S/c1-16(14,15)12-7-4-2-3-6(5-7)8(13)9(10)11/h2-5,8,12-13H,1H3,(H3,10,11)
InChIKey
BBFLCDGDRJRARV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.06776 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07504 151.5
[M+Na]+ 266.05698 157.9
[M+NH4]+ 261.10158 156.7
[M+K]+ 282.03092 154.1
[M-H]- 242.06048 151.6
[M+Na-2H]- 264.04243 154.8
[M]+ 243.06721 152.3
[M]- 243.06831 152.3
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

patents stripe