CID 16217721

3-(p-toluenesulfonylamino)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C19H24BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H24BNO4S/c1-14-9-11-17(12-10-14)26(22,23)21-16-8-6-7-15(13-16)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3
InChIKey
RGAZOXRZFCGICF-UHFFFAOYSA-N
Compound name
4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

373.15192 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15920 182.6
[M+Na]+ 396.14114 191.6
[M-H]- 372.14464 194.4
[M+NH4]+ 391.18574 198.5
[M+K]+ 412.11508 190.3
[M+H-H2O]+ 356.14918 177.1
[M+HCOO]- 418.15012 198.5
[M+CH3COO]- 432.16577 216.0
[M+Na-2H]- 394.12659 187.2
[M]+ 373.15137 188.4
[M]- 373.15247 188.4
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