CID 44119825

3-(n,n-diethylsulphamoyl)-4-methoxybenzeneboronic acid

Structural Information

Molecular Formula
C11H18BNO5S
SMILES
B(C1=CC(=C(C=C1)OC)S(=O)(=O)N(CC)CC)(O)O
InChI
InChI=1S/C11H18BNO5S/c1-4-13(5-2)19(16,17)11-8-9(12(14)15)6-7-10(11)18-3/h6-8,14-15H,4-5H2,1-3H3
InChIKey
URMKPGLOFMAUIZ-UHFFFAOYSA-N
Compound name
[3-(diethylsulfamoyl)-4-methoxyphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.09988 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10716 160.8
[M+Na]+ 310.08910 166.9
[M-H]- 286.09260 163.1
[M+NH4]+ 305.13370 175.9
[M+K]+ 326.06304 165.4
[M+H-H2O]+ 270.09714 154.5
[M+HCOO]- 332.09808 176.3
[M+CH3COO]- 346.11373 199.2
[M+Na-2H]- 308.07455 162.2
[M]+ 287.09933 166.0
[M]- 287.10043 166.0
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

patents stripe