CID 59744585

1014613-40-1

Structural Information

Molecular Formula
C14H22BNO5S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)NCCO
InChI
InChI=1S/C14H22BNO5S/c1-13(2)14(3,4)21-15(20-13)11-5-7-12(8-6-11)22(18,19)16-9-10-17/h5-8,16-17H,9-10H2,1-4H3
InChIKey
ZKZFMLOBRZWBRY-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

327.13116 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13844 168.4
[M+Na]+ 350.12038 176.3
[M-H]- 326.12388 175.4
[M+NH4]+ 345.16498 185.4
[M+K]+ 366.09432 175.8
[M+H-H2O]+ 310.12842 164.7
[M+HCOO]- 372.12936 183.0
[M+CH3COO]- 386.14501 203.8
[M+Na-2H]- 348.10583 174.1
[M]+ 327.13061 174.1
[M]- 327.13171 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe