CID 60146041

486422-69-9

Structural Information

Molecular Formula
C14H24BN3O4S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C)(O)O
InChI
InChI=1S/C14H24BN3O4S/c1-17-9-11-18(12-10-17)8-2-7-16-23(21,22)14-5-3-13(4-6-14)15(19)20/h3-6,16,19-20H,2,7-12H2,1H3
InChIKey
SSVLGTJIZOQWJT-UHFFFAOYSA-N
Compound name
[4-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

341.15805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16533 176.6
[M+Na]+ 364.14727 179.9
[M-H]- 340.15077 176.7
[M+NH4]+ 359.19187 185.6
[M+K]+ 380.12121 175.5
[M+H-H2O]+ 324.15531 168.3
[M+HCOO]- 386.15625 185.3
[M+CH3COO]- 400.17190 205.3
[M+Na-2H]- 362.13272 177.5
[M]+ 341.15750 174.5
[M]- 341.15860 174.5
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