CID 361912

2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)O
InChI
InChI=1S/C11H10N2O3/c1-7-12-9-5-3-2-4-8(9)11(16)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
NIRPYXSTQBPOLJ-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxoquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.4
[M+Na]+ 241.058358 154.9
[M-H]- 217.061864 145.7
[M+NH4]+ 236.102963 160.9
[M+K]+ 257.032298 151.4
[M+H-H2O]+ 201.066400 137.2
[M+HCOO]- 263.067341 164.0
[M+CH3COO]- 277.082991 186.6
[M+Na-2H]- 239.043806 151.1
[M]+ 218.06859142 146.5
[M]- 218.06968858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.