CID 44119826

4-methoxy-3-(morpholin-4-ylsulphonyl)benzeneboronic acid

Structural Information

Molecular Formula
C11H16BNO6S
SMILES
B(C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H16BNO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKey
MCYOYCLLZQYKDW-UHFFFAOYSA-N
Compound name
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

301.07913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08641 162.0
[M+Na]+ 324.06835 167.3
[M-H]- 300.07185 164.9
[M+NH4]+ 319.11295 173.0
[M+K]+ 340.04229 166.1
[M+H-H2O]+ 284.07639 155.0
[M+HCOO]- 346.07733 171.8
[M+CH3COO]- 360.09298 193.1
[M+Na-2H]- 322.05380 164.8
[M]+ 301.07858 162.7
[M]- 301.07968 162.7
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