CID 71757663

1486485-57-7

Structural Information

Molecular Formula
C17H27BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C3CCCCO3)C4CC4
InChI
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-11-13(12-8-9-12)19-20(14)15-7-5-6-10-21-15/h11-12,15H,5-10H2,1-4H3
InChIKey
RGWSNXLQKXBYDF-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

318.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21878 171.4
[M+Na]+ 341.20072 179.9
[M-H]- 317.20422 183.6
[M+NH4]+ 336.24532 181.9
[M+K]+ 357.17466 181.2
[M+H-H2O]+ 301.20876 165.6
[M+HCOO]- 363.20970 184.7
[M+CH3COO]- 377.22535 182.6
[M+Na-2H]- 339.18617 171.4
[M]+ 318.21095 174.8
[M]- 318.21205 174.8
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