CID 46739532

4-(4-boc-piperazine-1-carbonyl)phenylboronic acid

Structural Information

Molecular Formula
C16H23BN2O5
SMILES
B(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C16H23BN2O5/c1-16(2,3)24-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(7-5-12)17(22)23/h4-7,22-23H,8-11H2,1-3H3
InChIKey
LJJBJECKHAIPNO-UHFFFAOYSA-N
Compound name
[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

334.17 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17728 177.2
[M+Na]+ 357.15922 180.4
[M-H]- 333.16272 177.8
[M+NH4]+ 352.20382 186.5
[M+K]+ 373.13316 178.7
[M+H-H2O]+ 317.16726 169.2
[M+HCOO]- 379.16820 187.6
[M+CH3COO]- 393.18385 203.7
[M+Na-2H]- 355.14467 176.8
[M]+ 334.16945 174.4
[M]- 334.17055 174.4
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