CID 3148347

2-(quinazolin-4-yloxy)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

204.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.6
[M+Na]+ 227.04272 149.3
[M-H]- 203.04622 141.2
[M+NH4]+ 222.08732 157.0
[M+K]+ 243.01666 146.6
[M+H-H2O]+ 187.05076 132.9
[M+HCOO]- 249.05170 160.4
[M+CH3COO]- 263.06735 181.9
[M+Na-2H]- 225.02817 149.3
[M]+ 204.05295 142.1
[M]- 204.05405 142.1
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