CID 172644538

Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazol-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C19H31BN2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NO2)C3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H31BN2O5/c1-17(2,3)24-16(23)22-10-8-13(9-11-22)14-12-15(25-21-14)20-26-18(4,5)19(6,7)27-20/h12-13H,8-11H2,1-7H3
InChIKey
ZVQBLFXYDMYZMN-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.2326 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23988 184.7
[M+Na]+ 401.22182 190.8
[M-H]- 377.22532 193.7
[M+NH4]+ 396.26642 197.8
[M+K]+ 417.19576 193.1
[M+H-H2O]+ 361.22986 179.9
[M+HCOO]- 423.23080 196.3
[M+CH3COO]- 437.24645 216.0
[M+Na-2H]- 399.20727 185.0
[M]+ 378.23205 188.3
[M]- 378.23315 188.3
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.