CID 137965691

Methyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamoyl})amine

Structural Information

Molecular Formula
C13H21BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)NC
InChI
InChI=1S/C13H21BN2O4S/c1-12(2)13(3,4)20-14(19-12)10-6-8-11(9-7-10)16-21(17,18)15-5/h6-9,15-16H,1-5H3
InChIKey
LTRABZHGQQQXCZ-UHFFFAOYSA-N
Compound name
N-(methylsulfamoyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13878 164.8
[M+Na]+ 335.12072 172.8
[M-H]- 311.12422 173.2
[M+NH4]+ 330.16532 182.8
[M+K]+ 351.09466 172.7
[M+H-H2O]+ 295.12876 160.6
[M+HCOO]- 357.12970 181.9
[M+CH3COO]- 371.14535 206.1
[M+Na-2H]- 333.10617 171.6
[M]+ 312.13095 169.7
[M]- 312.13205 169.7
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

No patent data available for this compound.