CID 140746337

1798336-81-8

Structural Information

Molecular Formula
C13H21BN2O3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N=S(=O)(C)C
InChI
InChI=1S/C13H21BN2O3S/c1-12(2)13(3,4)19-14(18-12)10-7-8-11(15-9-10)16-20(5,6)17/h7-9H,1-6H3
InChIKey
MLDZGXRHVGDBCE-UHFFFAOYSA-N
Compound name
dimethyl-oxo-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]imino-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.1366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14388 160.7
[M+Na]+ 319.12582 170.6
[M-H]- 295.12932 169.5
[M+NH4]+ 314.17042 179.5
[M+K]+ 335.09976 170.9
[M+H-H2O]+ 279.13386 156.0
[M+HCOO]- 341.13480 177.1
[M+CH3COO]- 355.15045 203.1
[M+Na-2H]- 317.11127 166.6
[M]+ 296.13605 167.2
[M]- 296.13715 167.2
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