CID 5303089

869947-94-4

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)O
InChI
InChI=1S/C11H10N2O4/c1-12-10(16)7-4-2-3-5-8(7)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
CUELILSJQNHUOS-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 146.1
[M+Na]+ 257.053278 157.6
[M-H]- 233.056784 147.8
[M+NH4]+ 252.097883 162.1
[M+K]+ 273.027218 154.2
[M+H-H2O]+ 217.061320 138.9
[M+HCOO]- 279.062261 166.0
[M+CH3COO]- 293.077911 189.4
[M+Na-2H]- 255.038726 152.1
[M]+ 234.06351142 149.3
[M]- 234.06460858 149.3
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.