CID 729359

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

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)O
InChI
InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
InChIKey
BBBICQPTZBHLBM-UHFFFAOYSA-N
Compound name
2-(4-oxoquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

55
Patents

204.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 139.8
[M+Na]+ 227.042718 149.8
[M-H]- 203.046224 140.9
[M+NH4]+ 222.087323 156.6
[M+K]+ 243.016658 146.5
[M+H-H2O]+ 187.050760 132.5
[M+HCOO]- 249.051701 159.8
[M+CH3COO]- 263.067351 182.4
[M+Na-2H]- 225.028166 147.8
[M]+ 204.05295142 141.1
[M]- 204.05404858 141.1
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