CID 3057636

7-quinazolinecarboxylic acid, 3,4-dihydro-3-(3,5-dimethylphenyl)-2-methyl-4-oxo-

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]+ 309.123376 171.6
[M+Na]+ 331.105318 182.8
[M-H]- 307.108824 176.5
[M+NH4]+ 326.149923 184.6
[M+K]+ 347.079258 177.3
[M+H-H2O]+ 291.113360 162.6
[M+HCOO]- 353.114301 189.9
[M+CH3COO]- 367.129951 207.5
[M+Na-2H]- 329.090766 174.7
[M]+ 308.11555142 174.5
[M]- 308.11664858 174.5
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.