CID 45588156

1029684-36-3

Structural Information

Molecular Formula
C14H22BClN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N2C3CCCCO3)Cl
InChI
InChI=1S/C14H22BClN2O3/c1-13(2)14(3,4)21-15(20-13)10-9-17-12(16)18(10)11-7-5-6-8-19-11/h9,11H,5-8H2,1-4H3
InChIKey
PWGDGTMRINKIRS-UHFFFAOYSA-N
Compound name
2-chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

312.1412 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14848 167.7
[M+Na]+ 335.13042 176.2
[M-H]- 311.13392 176.5
[M+NH4]+ 330.17502 184.0
[M+K]+ 351.10436 175.9
[M+H-H2O]+ 295.13846 161.9
[M+HCOO]- 357.13940 177.9
[M+CH3COO]- 371.15505 179.5
[M+Na-2H]- 333.11587 168.4
[M]+ 312.14065 170.2
[M]- 312.14175 170.2
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

patents stripe