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 152.8
[M+Na]+ 300.09484 165.8
[M-H]- 276.09834 162.5
[M+NH4]+ 295.13944 173.0
[M+K]+ 316.06878 165.9
[M+H-H2O]+ 260.10288 148.3
[M+HCOO]- 322.10382 170.7
[M+CH3COO]- 336.11947 167.5
[M+Na-2H]- 298.08029 153.6
[M]+ 277.10507 160.4
[M]- 277.10617 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.