CID 57415689

949115-03-1

Structural Information

Molecular Formula
C19H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H22BNO3/c1-18(2)19(3,4)24-20(23-18)15-12-10-14(11-13-15)17(22)21-16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22)
InChIKey
TWLVUSQQVDJZPI-UHFFFAOYSA-N
Compound name
N-phenyl-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

59
Patents

323.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17656 174.2
[M+Na]+ 346.15850 187.2
[M+NH4]+ 341.20310 184.7
[M+K]+ 362.13244 179.1
[M-H]- 322.16200 182.7
[M+Na-2H]- 344.14395 184.3
[M]+ 323.16873 178.9
[M]- 323.16983 178.9
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