CID 124224772

1-(4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C19H29BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCN(CC3)C(=O)C
InChI
InChI=1S/C19H29BN2O3/c1-15(23)22-11-9-21(10-12-22)14-16-7-6-8-17(13-16)20-24-18(2,3)19(4,5)25-20/h6-8,13H,9-12,14H2,1-5H3
InChIKey
ISLUJPUZMMIHPV-UHFFFAOYSA-N
Compound name
1-[4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2271 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.234376 181.1
[M+Na]+ 367.216318 187.2
[M-H]- 343.219824 189.0
[M+NH4]+ 362.260923 194.9
[M+K]+ 383.190258 186.6
[M+H-H2O]+ 327.224360 172.9
[M+HCOO]- 389.225301 193.9
[M+CH3COO]- 403.240951 212.0
[M+Na-2H]- 365.201766 180.8
[M]+ 344.22655142 180.8
[M]- 344.22764858 180.8
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

No patent data available for this compound.