CID 11023499

440652-32-4

Structural Information

Molecular Formula
C18H29BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN3CCN(CC3)C
InChI
InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)16-9-7-6-8-15(16)14-21-12-10-20(5)11-13-21/h6-9H,10-14H2,1-5H3
InChIKey
YYWYWLGKBKLRHM-UHFFFAOYSA-N
Compound name
1-methyl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

316.2322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23948 175.7
[M+Na]+ 339.22142 188.1
[M+NH4]+ 334.26602 186.1
[M+K]+ 355.19536 180.0
[M-H]- 315.22492 182.7
[M+Na-2H]- 337.20687 183.4
[M]+ 316.23165 179.9
[M]- 316.23275 179.9
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