CID 52936632

1083326-28-6

Structural Information

Molecular Formula
C17H21BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21BN2O4S/c1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15/h5-12,20H,1-4H3
InChIKey
UXJVHVXONVGHIL-UHFFFAOYSA-N
Compound name
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

360.1315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13878 178.0
[M+Na]+ 383.12072 189.9
[M+NH4]+ 378.16532 187.2
[M+K]+ 399.09466 181.6
[M-H]- 359.12422 184.5
[M+Na-2H]- 381.10617 187.8
[M]+ 360.13095 182.4
[M]- 360.13205 182.4
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