CID 135417409

1,4-dihydro-2-(2-ethoxy-3-methylphenyl)-4-oxo-6-quinazolinecarboxylic acid

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCOC1=C(C=CC=C1C2=NC3=C(C=C(C=C3)C(=O)O)C(=O)N2)C
InChI
InChI=1S/C18H16N2O4/c1-3-24-15-10(2)5-4-6-12(15)16-19-14-8-7-11(18(22)23)9-13(14)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKey
OEIAFUYILCEEAR-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-3-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 174.9
[M+Na]+ 347.100218 184.5
[M-H]- 323.103724 178.1
[M+NH4]+ 342.144823 186.1
[M+K]+ 363.074158 178.9
[M+H-H2O]+ 307.108260 165.7
[M+HCOO]- 369.109201 191.9
[M+CH3COO]- 383.124851 206.2
[M+Na-2H]- 345.085666 178.4
[M]+ 324.11045142 177.0
[M]- 324.11154858 177.0
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