CID 16217720

674776-54-6

Structural Information

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

27
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

literature stripe

Patent stripe

patents stripe