CID 49760417

N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetamide

Structural Information

Molecular Formula
C13H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)NC(=O)C
InChI
InChI=1S/C13H19BN2O3/c1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H,15,16,17)
InChIKey
LXSZMGQQXZXQKX-UHFFFAOYSA-N
Compound name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

262.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15614 156.0
[M+Na]+ 285.13808 164.6
[M-H]- 261.14158 163.4
[M+NH4]+ 280.18268 174.6
[M+K]+ 301.11202 165.1
[M+H-H2O]+ 245.14612 150.4
[M+HCOO]- 307.14706 176.1
[M+CH3COO]- 321.16271 198.1
[M+Na-2H]- 283.12353 161.4
[M]+ 262.14831 159.0
[M]- 262.14941 159.0
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