CID 17998905

747413-21-4

Structural Information

Molecular Formula
C17H27BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C
InChI
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-6-8-15(9-7-14)20-12-10-19(5)11-13-20/h6-9H,10-13H2,1-5H3
InChIKey
RDFJBDMCBVSCFI-UHFFFAOYSA-N
Compound name
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

709
Patents

302.21655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22383 170.3
[M+Na]+ 325.20577 177.4
[M-H]- 301.20927 178.4
[M+NH4]+ 320.25037 186.0
[M+K]+ 341.17971 176.6
[M+H-H2O]+ 285.21381 162.1
[M+HCOO]- 347.21475 184.4
[M+CH3COO]- 361.23040 181.3
[M+Na-2H]- 323.19122 171.9
[M]+ 302.21600 169.2
[M]- 302.21710 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe