CID 3057636

Brn 0683524

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)C)C
InChI
InChI=1S/C18H16N2O3/c1-10-6-11(2)8-14(7-10)20-12(3)19-16-9-13(18(22)23)4-5-15(16)17(20)21/h4-9H,1-3H3,(H,22,23)
InChIKey
GOWFZZBGAMSPLA-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylphenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.9
[M+Na]+ 331.10532 188.5
[M+NH4]+ 326.14992 178.7
[M+K]+ 347.07926 181.4
[M-H]- 307.10882 175.1
[M+Na-2H]- 329.09077 179.1
[M]+ 308.11555 175.3
[M]- 308.11665 175.3
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.