CID 135417408

1,4-dihydro-2-(2-ethoxy-5-methoxyphenyl)-4-oxo-6-quinazolinecarboxylic acid

Structural Information

Molecular Formula
C18H16N2O5
SMILES
CCOC1=C(C=C(C=C1)OC)C2=NC3=C(C=C(C=C3)C(=O)O)C(=O)N2
InChI
InChI=1S/C18H16N2O5/c1-3-25-15-7-5-11(24-2)9-13(15)16-19-14-6-4-10(18(22)23)8-12(14)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKey
FKBAPDCFZRVMEI-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-5-methoxyphenyl)-4-oxo-3H-quinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.10593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 178.4
[M+Na]+ 363.09515 193.1
[M+NH4]+ 358.13975 183.7
[M+K]+ 379.06909 187.2
[M-H]- 339.09865 180.1
[M+Na-2H]- 361.08060 184.3
[M]+ 340.10538 180.8
[M]- 340.10648 180.8
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