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

13
Patents

373.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24971 188.6
[M+Na]+ 396.23165 194.4
[M-H]- 372.23515 196.9
[M+NH4]+ 391.27625 205.2
[M+K]+ 412.20559 194.5
[M+H-H2O]+ 356.23969 183.5
[M+HCOO]- 418.24063 202.6
[M+CH3COO]- 432.25628 220.5
[M+Na-2H]- 394.21710 191.7
[M]+ 373.24188 191.0
[M]- 373.24298 191.0
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