CID 45785870

1310404-67-1

Structural Information

Molecular Formula
C12H16BN3O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)N3C=CN=C3
InChI
InChI=1S/C12H16BN3O2S/c1-11(2)12(3,4)18-13(17-11)9-7-19-10(15-9)16-6-5-14-8-16/h5-8H,1-4H3
InChIKey
KGSMGALHAZXZHG-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10562 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11290 155.2
[M+Na]+ 300.09484 167.6
[M+NH4]+ 295.13944 165.6
[M+K]+ 316.06878 162.9
[M-H]- 276.09834 160.7
[M+Na-2H]- 298.08029 163.7
[M]+ 277.10507 159.4
[M]- 277.10617 159.4
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.