CID 10335403

4-[5-(4-dimethylaminophenyl)oxazol-2-yl]benzeneboronic acid

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

11
Patents

308.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14048 170.3
[M+Na]+ 331.12242 177.1
[M-H]- 307.12592 179.0
[M+NH4]+ 326.16702 183.0
[M+K]+ 347.09636 174.8
[M+H-H2O]+ 291.13046 161.6
[M+HCOO]- 353.13140 191.5
[M+CH3COO]- 367.14705 205.9
[M+Na-2H]- 329.10787 172.6
[M]+ 308.13265 171.9
[M]- 308.13375 171.9
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