CID 170902433

2246576-33-8

Structural Information

Molecular Formula
C12H19BN2O3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)CNC(=O)C
InChI
InChI=1S/C12H19BN2O3S/c1-8(16)14-7-10-15-6-9(19-10)13-17-11(2,3)12(4,5)18-13/h6H,7H2,1-5H3,(H,14,16)
InChIKey
UUDZJPUQPFSQLA-UHFFFAOYSA-N
Compound name
N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12822 158.4
[M+Na]+ 305.11016 167.4
[M-H]- 281.11366 166.0
[M+NH4]+ 300.15476 178.8
[M+K]+ 321.08410 167.8
[M+H-H2O]+ 265.11820 155.0
[M+HCOO]- 327.11914 174.8
[M+CH3COO]- 341.13479 199.0
[M+Na-2H]- 303.09561 160.1
[M]+ 282.12039 164.3
[M]- 282.12149 164.3
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.