CID 125449128

2-[1-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-3-yl]-1,3-thiazole

Structural Information

Molecular Formula
C14H20BN3O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2CC)C3=NC=CS3
InChI
InChI=1S/C14H20BN3O2S/c1-6-18-11(9-10(17-18)12-16-7-8-21-12)15-19-13(2,3)14(4,5)20-15/h7-9H,6H2,1-5H3
InChIKey
CNOODEAUHJTXNF-UHFFFAOYSA-N
Compound name
2-[1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14421 160.8
[M+Na]+ 328.12615 173.7
[M-H]- 304.12965 170.5
[M+NH4]+ 323.17075 180.2
[M+K]+ 344.10009 173.3
[M+H-H2O]+ 288.13419 156.4
[M+HCOO]- 350.13513 178.0
[M+CH3COO]- 364.15078 175.0
[M+Na-2H]- 326.11160 160.2
[M]+ 305.13638 169.5
[M]- 305.13748 169.5
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.