CID 135885364

943087-94-3

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)COCC(=O)O
InChI
InChI=1S/C11H10N2O4/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKey
WNOHJYFQSSYRCY-UHFFFAOYSA-N
Compound name
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.06406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.7
[M+Na]+ 257.05328 156.6
[M-H]- 233.05678 147.2
[M+NH4]+ 252.09788 162.4
[M+K]+ 273.02722 152.8
[M+H-H2O]+ 217.06132 140.2
[M+HCOO]- 279.06226 166.0
[M+CH3COO]- 293.07791 185.2
[M+Na-2H]- 255.03873 154.7
[M]+ 234.06351 148.9
[M]- 234.06461 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe