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]+ 278.112896 152.8
[M+Na]+ 300.094838 165.8
[M-H]- 276.098344 162.5
[M+NH4]+ 295.139443 173.0
[M+K]+ 316.068778 165.9
[M+H-H2O]+ 260.102880 148.3
[M+HCOO]- 322.103821 170.7
[M+CH3COO]- 336.119471 167.5
[M+Na-2H]- 298.080286 153.6
[M]+ 277.10507142 160.4
[M]- 277.10616858 160.4
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.