CID 165764997

En300-37297093

Structural Information

Molecular Formula
C20H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)[C@H](COC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-16-12-24-11-13-10-14(8-9-15(13)16)21-26-19(4,5)20(6,7)27-21/h8-10,16H,11-12H2,1-7H3,(H,22,23)/t16-/m0/s1
InChIKey
OUWYDYSSLGYIAU-INIZCTEOSA-N
Compound name
tert-butyl N-[(4R)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isochromen-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22898 186.0
[M+Na]+ 398.21092 195.2
[M+NH4]+ 393.25552 194.8
[M+K]+ 414.18486 190.2
[M-H]- 374.21442 192.0
[M+Na-2H]- 396.19637 190.1
[M]+ 375.22115 189.3
[M]- 375.22225 189.3
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.