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 150.5
[M+Na]+ 266.05698 155.8
[M-H]- 242.06048 152.2
[M+NH4]+ 261.10158 166.0
[M+K]+ 282.03092 152.5
[M+H-H2O]+ 226.06502 143.8
[M+HCOO]- 288.06596 167.8
[M+CH3COO]- 302.08161 194.3
[M+Na-2H]- 264.04243 153.2
[M]+ 243.06721 147.9
[M]- 243.06831 147.9
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