CID 129989214

859958-90-0

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=NC2=C(C=C(C=C2)C(=O)O)C(=O)N1C
InChI
InChI=1S/C11H10N2O3/c1-6-12-9-4-3-7(11(15)16)5-8(9)10(14)13(6)2/h3-5H,1-2H3,(H,15,16)
InChIKey
OCTUDYSAXHCWIF-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-oxoquinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.2
[M+Na]+ 241.05836 155.6
[M-H]- 217.06186 146.0
[M+NH4]+ 236.10296 161.1
[M+K]+ 257.03230 152.2
[M+H-H2O]+ 201.06640 137.3
[M+HCOO]- 263.06734 163.8
[M+CH3COO]- 277.08299 187.9
[M+Na-2H]- 239.04381 150.2
[M]+ 218.06859 146.7
[M]- 218.06969 146.7
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.