CID 64036

Brn 0678996

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)C
InChI
InChI=1S/C17H14N2O3/c1-10-5-3-4-6-15(10)19-11(2)18-14-9-12(17(21)22)7-8-13(14)16(19)20/h3-9H,1-2H3,(H,21,22)
InChIKey
KXSVDKUQCMVVTR-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 167.0
[M+Na]+ 317.08965 177.8
[M-H]- 293.09315 171.7
[M+NH4]+ 312.13425 180.3
[M+K]+ 333.06359 172.4
[M+H-H2O]+ 277.09769 157.9
[M+HCOO]- 339.09863 185.7
[M+CH3COO]- 353.11428 203.2
[M+Na-2H]- 315.07510 171.4
[M]+ 294.09988 169.2
[M]- 294.10098 169.2
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.