CID 68945568

2260935-71-3

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CN1C=NC2=C(C1=O)C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-12-5-11-8-3-2-6(10(14)15)4-7(8)9(12)13/h2-5H,1H3,(H,14,15)
InChIKey
TVXLXLKDYGBLRT-UHFFFAOYSA-N
Compound name
3-methyl-4-oxoquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

204.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.7
[M+Na]+ 227.04272 150.7
[M-H]- 203.04622 141.3
[M+NH4]+ 222.08732 156.8
[M+K]+ 243.01666 147.4
[M+H-H2O]+ 187.05076 132.7
[M+HCOO]- 249.05170 159.7
[M+CH3COO]- 263.06735 183.6
[M+Na-2H]- 225.02817 147.0
[M]+ 204.05295 141.4
[M]- 204.05405 141.4
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