CID 2760030

832114-06-4

Structural Information

Molecular Formula
C18H27BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-10-20(5)11-13-21/h6-9H,10-13H2,1-5H3
InChIKey
TXCDVBDHDQAWLR-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

330.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21878 177.5
[M+Na]+ 353.20072 189.1
[M+NH4]+ 348.24532 186.9
[M+K]+ 369.17466 182.3
[M-H]- 329.20422 183.6
[M+Na-2H]- 351.18617 184.4
[M]+ 330.21095 181.2
[M]- 330.21205 181.2
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