CID 68571547

1206594-13-9

Structural Information

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

39
Patents

344.2271 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.23438 181.1
[M+Na]+ 367.21632 187.2
[M-H]- 343.21982 189.0
[M+NH4]+ 362.26092 194.9
[M+K]+ 383.19026 186.6
[M+H-H2O]+ 327.22436 172.9
[M+HCOO]- 389.22530 193.9
[M+CH3COO]- 403.24095 212.0
[M+Na-2H]- 365.20177 180.8
[M]+ 344.22655 180.8
[M]- 344.22765 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

patents stripe