CID 44119814

874219-49-5

Structural Information

Molecular Formula
C15H16BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC=C2)(O)O
InChI
InChI=1S/C15H16BNO3/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(10-8-13)16(19)20/h2-10,19-20H,11H2,1H3
InChIKey
LPRWGAHHEXCVJU-UHFFFAOYSA-N
Compound name
[4-[benzyl(methyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

269.1223 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12958 161.8
[M+Na]+ 292.11152 173.5
[M+NH4]+ 287.15612 168.9
[M+K]+ 308.08546 168.2
[M-H]- 268.11502 165.3
[M+Na-2H]- 290.09697 169.4
[M]+ 269.12175 164.3
[M]- 269.12285 164.3
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