CID 135417406

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

Structural Information

Molecular Formula
C18H16N2O5
SMILES
CCOC1=C(C=CC=C1OC)C2=NC3=C(C=C(C=C3)C(=O)O)C(=O)N2
InChI
InChI=1S/C18H16N2O5/c1-3-25-15-11(5-4-6-14(15)24-2)16-19-13-8-7-10(18(22)23)9-12(13)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKey
PEVAIZIFXLHRJX-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-3-methoxyphenyl)-4-oxo-3H-quinazoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 177.5
[M+Na]+ 363.09515 186.8
[M-H]- 339.09865 180.7
[M+NH4]+ 358.13975 187.9
[M+K]+ 379.06909 182.0
[M+H-H2O]+ 323.10319 168.1
[M+HCOO]- 385.10413 194.6
[M+CH3COO]- 399.11978 208.4
[M+Na-2H]- 361.08060 181.2
[M]+ 340.10538 181.0
[M]- 340.10648 181.0
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