CID 165996287

(2,3-dimethyl-4-oxo-3,4-dihydroquinazolin-8-yl)boronic acid

Structural Information

Molecular Formula
C10H11BN2O3
SMILES
B(C1=C2C(=CC=C1)C(=O)N(C(=N2)C)C)(O)O
InChI
InChI=1S/C10H11BN2O3/c1-6-12-9-7(10(14)13(6)2)4-3-5-8(9)11(15)16/h3-5,15-16H,1-2H3
InChIKey
LGLBHKJDDKLXFV-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-4-oxoquinazolin-8-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08627 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09355 145.6
[M+Na]+ 241.07549 159.4
[M+NH4]+ 236.12009 152.3
[M+K]+ 257.04943 154.5
[M-H]- 217.07899 145.7
[M+Na-2H]- 239.06094 150.5
[M]+ 218.08572 147.4
[M]- 218.08682 147.4
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

No patent data available for this compound.