CID 135449434

5368-37-6

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

59
Patents

218.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.9
[M+Na]+ 241.05836 159.0
[M+NH4]+ 236.10296 152.3
[M+K]+ 257.03230 153.5
[M-H]- 217.06186 145.6
[M+Na-2H]- 239.04381 151.1
[M]+ 218.06859 147.4
[M]- 218.06969 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

literature stripe

Patent stripe

patents stripe