CID 123306848

1378368-27-4

Structural Information

Molecular Formula
C19H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO5/c1-17(2,3)24-16(23)21-15(12-22)13-8-10-14(11-9-13)20-25-18(4,5)19(6,7)26-20/h8-11,15,22H,12H2,1-7H3,(H,21,23)
InChIKey
PXMBGSVWWPGOCQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-hydroxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22898 184.3
[M+Na]+ 386.21092 189.7
[M-H]- 362.21442 191.0
[M+NH4]+ 381.25552 199.5
[M+K]+ 402.18486 190.9
[M+H-H2O]+ 346.21896 180.2
[M+HCOO]- 408.21990 200.0
[M+CH3COO]- 422.23555 215.5
[M+Na-2H]- 384.19637 187.2
[M]+ 363.22115 188.8
[M]- 363.22225 188.8
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