CID 44755164

N-benzyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C18H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C18H23BN2O2/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21-13-15)20-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKey
BWIHFPRFKBKWMU-UHFFFAOYSA-N
Compound name
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

310.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19255 171.5
[M+Na]+ 333.17449 179.4
[M-H]- 309.17799 181.6
[M+NH4]+ 328.21909 187.7
[M+K]+ 349.14843 177.8
[M+H-H2O]+ 293.18253 163.4
[M+HCOO]- 355.18347 191.9
[M+CH3COO]- 369.19912 183.5
[M+Na-2H]- 331.15994 176.8
[M]+ 310.18472 173.5
[M]- 310.18582 173.5
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