CID 5233014

457613-78-4

Structural Information

Molecular Formula
C15H23BN2O4
SMILES
B(C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C15H23BN2O4/c1-15(2,3)22-14(19)18-10-8-17(9-11-18)13-6-4-12(5-7-13)16(20)21/h4-7,20-21H,8-11H2,1-3H3
InChIKey
BXGOBSWUEXKOIH-UHFFFAOYSA-N
Compound name
[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

306.17508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18236 172.4
[M+Na]+ 329.16430 176.1
[M-H]- 305.16780 172.9
[M+NH4]+ 324.20890 182.9
[M+K]+ 345.13824 173.8
[M+H-H2O]+ 289.17234 164.3
[M+HCOO]- 351.17328 183.6
[M+CH3COO]- 365.18893 198.9
[M+Na-2H]- 327.14975 173.2
[M]+ 306.17453 169.1
[M]- 306.17563 169.1
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