CID 155820965

2803922-63-4

Structural Information

Molecular Formula
C18H29BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H29BN2O4/c1-16(2,3)23-15(22)21(8)12-14-11-13(9-10-20-14)19-24-17(4,5)18(6,7)25-19/h9-11H,12H2,1-8H3
InChIKey
AAKYPVRTFGOMNI-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.22205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22933 179.2
[M+Na]+ 371.21127 188.5
[M+NH4]+ 366.25587 187.3
[M+K]+ 387.18521 183.9
[M-H]- 347.21477 183.1
[M+Na-2H]- 369.19672 185.3
[M]+ 348.22150 181.9
[M]- 348.22260 181.9
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