CID 59219171

Schembl3416221

Structural Information

Molecular Formula
C19H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO5/c1-17(2,3)24-16(22)21-12-13-11-14(9-10-15(13)23-8)20-25-18(4,5)19(6,7)26-20/h9-11H,12H2,1-8H3,(H,21,22)
InChIKey
BOOQOTAXVBFMEG-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22898 182.4
[M+Na]+ 386.21092 189.5
[M-H]- 362.21442 190.8
[M+NH4]+ 381.25552 198.7
[M+K]+ 402.18486 190.9
[M+H-H2O]+ 346.21896 178.1
[M+HCOO]- 408.21990 200.6
[M+CH3COO]- 422.23555 218.2
[M+Na-2H]- 384.19637 186.4
[M]+ 363.22115 189.8
[M]- 363.22225 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe