CID 170902051

1112789-86-2

Structural Information

Molecular Formula
C19H29BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCN(CC3)CCO
InChI
InChI=1S/C19H29BN2O4/c1-18(2)19(3,4)26-20(25-18)16-7-5-6-15(14-16)17(24)22-10-8-21(9-11-22)12-13-23/h5-7,14,23H,8-13H2,1-4H3
InChIKey
XTGVPNNTXXGAKO-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(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

0
Patents

360.22205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22933 184.9
[M+Na]+ 383.21127 190.4
[M-H]- 359.21477 191.5
[M+NH4]+ 378.25587 197.2
[M+K]+ 399.18521 189.6
[M+H-H2O]+ 343.21931 177.0
[M+HCOO]- 405.22025 196.4
[M+CH3COO]- 419.23590 211.9
[M+Na-2H]- 381.19672 184.5
[M]+ 360.22150 184.4
[M]- 360.22260 184.4
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.