CID 56844280

1072951-94-0

Structural Information

Molecular Formula
C17H21BO5
SMILES
B(C1=CC(=C(C(=C1)C)OCC2=CC(=CC(=C2)OC)OC)C)(O)O
InChI
InChI=1S/C17H21BO5/c1-11-5-14(18(19)20)6-12(2)17(11)23-10-13-7-15(21-3)9-16(8-13)22-4/h5-9,19-20H,10H2,1-4H3
InChIKey
VZHFHGUMGVBYBU-UHFFFAOYSA-N
Compound name
[4-[(3,5-dimethoxyphenyl)methoxy]-3,5-dimethylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

316.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15548 173.3
[M+Na]+ 339.13742 186.5
[M+NH4]+ 334.18202 179.6
[M+K]+ 355.11136 181.0
[M-H]- 315.14092 175.9
[M+Na-2H]- 337.12287 179.1
[M]+ 316.14765 175.9
[M]- 316.14875 175.9
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