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

5
Patents

324.111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 174.9
[M+Na]+ 347.10022 184.5
[M-H]- 323.10372 178.1
[M+NH4]+ 342.14482 186.1
[M+K]+ 363.07416 178.9
[M+H-H2O]+ 307.10826 165.7
[M+HCOO]- 369.10920 191.9
[M+CH3COO]- 383.12485 206.2
[M+Na-2H]- 345.08567 178.4
[M]+ 324.11045 177.0
[M]- 324.11155 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