CID 135449434

3-(4-oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)CCC(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)6-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKey
HYSISEGNFBAVMJ-UHFFFAOYSA-N
Compound name
3-(4-oxo-3H-quinazolin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

53
Patents

218.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.1
[M+Na]+ 241.058358 154.2
[M-H]- 217.061864 144.6
[M+NH4]+ 236.102963 160.6
[M+K]+ 257.032298 149.8
[M+H-H2O]+ 201.066400 137.9
[M+HCOO]- 263.067341 163.2
[M+CH3COO]- 277.082991 182.9
[M+Na-2H]- 239.043806 152.0
[M]+ 218.06859142 144.9
[M]- 218.06968858 144.9
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

patents stripe