CID 17750254

1073354-18-3

Structural Information

Molecular Formula
C19H31BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(C)C
InChI
InChI=1S/C19H31BN2O2/c1-15(2)21-11-13-22(14-12-21)17-9-7-16(8-10-17)20-23-18(3,4)19(5,6)24-20/h7-10,15H,11-14H2,1-6H3
InChIKey
CSORKGLMGUQQOY-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

109
Patents

330.24786 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.25514 178.9
[M+Na]+ 353.23708 184.9
[M-H]- 329.24058 186.8
[M+NH4]+ 348.28168 193.4
[M+K]+ 369.21102 184.1
[M+H-H2O]+ 313.24512 170.7
[M+HCOO]- 375.24606 191.4
[M+CH3COO]- 389.26171 211.2
[M+Na-2H]- 351.22253 178.4
[M]+ 330.24731 178.0
[M]- 330.24841 178.0
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