CID 56723693

1322605-11-7

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=NC2=C(C=C(C=C2)O)C(=O)N1CC(=O)O
InChI
InChI=1S/C11H10N2O4/c1-6-12-9-3-2-7(14)4-8(9)11(17)13(6)5-10(15)16/h2-4,14H,5H2,1H3,(H,15,16)
InChIKey
JKCTUFDANZNKET-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.9
[M+Na]+ 257.05328 158.6
[M-H]- 233.05678 148.2
[M+NH4]+ 252.09788 163.2
[M+K]+ 273.02722 155.0
[M+H-H2O]+ 217.06132 141.0
[M+HCOO]- 279.06226 166.1
[M+CH3COO]- 293.07791 187.7
[M+Na-2H]- 255.03873 153.4
[M]+ 234.06351 149.9
[M]- 234.06461 149.9
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

No patent data available for this compound.