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]+ 295.107706 167.0
[M+Na]+ 317.089648 177.8
[M-H]- 293.093154 171.7
[M+NH4]+ 312.134253 180.3
[M+K]+ 333.063588 172.4
[M+H-H2O]+ 277.097690 157.9
[M+HCOO]- 339.098631 185.7
[M+CH3COO]- 353.114281 203.2
[M+Na-2H]- 315.075096 171.4
[M]+ 294.09988142 169.2
[M]- 294.10097858 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.