CID 10335403

380499-66-1

Structural Information

Molecular Formula
C17H17BN2O3
SMILES
B(C1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)N(C)C)(O)O
InChI
InChI=1S/C17H17BN2O3/c1-20(2)15-9-5-12(6-10-15)16-11-19-17(23-16)13-3-7-14(8-4-13)18(21)22/h3-11,21-22H,1-2H3
InChIKey
VONPEMBRCXBCNJ-UHFFFAOYSA-N
Compound name
[4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14048 171.8
[M+Na]+ 331.12242 185.2
[M+NH4]+ 326.16702 178.9
[M+K]+ 347.09636 181.6
[M-H]- 307.12592 178.2
[M+Na-2H]- 329.10787 180.1
[M]+ 308.13265 175.5
[M]- 308.13375 175.5
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