CID 68164790

863679-84-9

Structural Information

Molecular Formula
C22H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C34CC3CN(C4)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H32BNO4/c1-19(2,3)26-18(25)24-13-16-12-22(16,14-24)15-8-10-17(11-9-15)23-27-20(4,5)21(6,7)28-23/h8-11,16H,12-14H2,1-7H3
InChIKey
LQRQDOUSUYVFNB-UHFFFAOYSA-N
Compound name
tert-butyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24971 185.8
[M+Na]+ 408.23165 195.0
[M-H]- 384.23515 197.0
[M+NH4]+ 403.27625 199.7
[M+K]+ 424.20559 195.8
[M+H-H2O]+ 368.23969 183.0
[M+HCOO]- 430.24063 198.2
[M+CH3COO]- 444.25628 220.3
[M+Na-2H]- 406.21710 188.0
[M]+ 385.24188 193.9
[M]- 385.24298 193.9
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