CID 70351953

1383385-64-5

Structural Information

Molecular Formula
C18H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-8-13(9-11-14)16(22)21-15-7-5-6-12-20-15/h5-12H,1-4H3,(H,20,21,22)
InChIKey
BFQWQKOPPQDARN-UHFFFAOYSA-N
Compound name
N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

324.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17180 174.2
[M+Na]+ 347.15374 182.1
[M-H]- 323.15724 184.5
[M+NH4]+ 342.19834 189.7
[M+K]+ 363.12768 181.1
[M+H-H2O]+ 307.16178 166.4
[M+HCOO]- 369.16272 194.1
[M+CH3COO]- 383.17837 209.0
[M+Na-2H]- 345.13919 178.6
[M]+ 324.16397 176.4
[M]- 324.16507 176.4
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