CID 44755166

1073354-32-1

Structural Information

Molecular Formula
C19H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NCC3=CC=C(C=C3)C
InChI
InChI=1S/C19H25BN2O2/c1-14-6-8-15(9-7-14)12-21-17-11-10-16(13-22-17)20-23-18(2,3)19(4,5)24-20/h6-11,13H,12H2,1-5H3,(H,21,22)
InChIKey
AFMJUGQUPACTDK-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-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

0
Patents

324.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20818 175.6
[M+Na]+ 347.19012 184.0
[M-H]- 323.19362 185.9
[M+NH4]+ 342.23472 191.6
[M+K]+ 363.16406 182.3
[M+H-H2O]+ 307.19816 167.7
[M+HCOO]- 369.19910 195.7
[M+CH3COO]- 383.21475 187.6
[M+Na-2H]- 345.17557 179.8
[M]+ 324.20035 178.4
[M]- 324.20145 178.4
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

No patent data available for this compound.