CID 58730925

846564-03-2

Structural Information

Molecular Formula
C21H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CC(CC3)NC(=O)OC(C)(C)C)C=C2
InChI
InChI=1S/C21H32BNO4/c1-19(2,3)25-18(24)23-17-11-9-14-12-16(10-8-15(14)13-17)22-26-20(4,5)21(6,7)27-22/h8,10,12,17H,9,11,13H2,1-7H3,(H,23,24)
InChIKey
KBEVOGLZFVQKOZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

373.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24971 187.6
[M+Na]+ 396.23165 196.7
[M+NH4]+ 391.27625 196.9
[M+K]+ 412.20559 190.6
[M-H]- 372.23515 192.7
[M+Na-2H]- 394.21710 192.3
[M]+ 373.24188 190.6
[M]- 373.24298 190.6
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