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 144.6
[M+Na]+ 241.07549 155.3
[M-H]- 217.07899 144.9
[M+NH4]+ 236.12009 160.8
[M+K]+ 257.04943 151.7
[M+H-H2O]+ 201.08353 137.9
[M+HCOO]- 263.08447 162.5
[M+CH3COO]- 277.10012 185.7
[M+Na-2H]- 239.06094 150.2
[M]+ 218.08572 145.9
[M]- 218.08682 145.9
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

No patent data available for this compound.