CID 53216820

936694-19-8

Structural Information

Molecular Formula
C22H35BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-8-10-18(11-9-17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3
InChIKey
AAEYFMAHSYKHGD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

402.26898 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.27626 195.0
[M+Na]+ 425.25820 204.8
[M+NH4]+ 420.30280 202.9
[M+K]+ 441.23214 199.2
[M-H]- 401.26170 199.8
[M+Na-2H]- 423.24365 200.7
[M]+ 402.26843 198.0
[M]- 402.26953 198.0
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