CID 43811064

1073372-01-6

Structural Information

Molecular Formula
C17H26BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C
InChI
InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-7-6-14(12-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
InChIKey
RNFCDPMIZSSWDQ-UHFFFAOYSA-N
Compound name
1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

331.20673 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21401 176.8
[M+Na]+ 354.19595 183.8
[M-H]- 330.19945 183.6
[M+NH4]+ 349.24055 189.6
[M+K]+ 370.16989 183.4
[M+H-H2O]+ 314.20399 167.9
[M+HCOO]- 376.20493 188.9
[M+CH3COO]- 390.22058 208.9
[M+Na-2H]- 352.18140 177.2
[M]+ 331.20618 176.3
[M]- 331.20728 176.3
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