CID 218585

3(4h)-quinazolineacetic acid, 2-methyl-4-oxo-, ethyl ester

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCOC(=O)CN1C(=NC2=CC=CC=C2C1=O)C
InChI
InChI=1S/C13H14N2O3/c1-3-18-12(16)8-15-9(2)14-11-7-5-4-6-10(11)13(15)17/h4-7H,3,8H2,1-2H3
InChIKey
PSEPPSGHFXPIPA-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-4-oxoquinazolin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.9
[M+Na]+ 269.08967 168.1
[M+NH4]+ 264.13427 160.8
[M+K]+ 285.06361 161.8
[M-H]- 245.09317 154.7
[M+Na-2H]- 267.07512 159.6
[M]+ 246.09990 156.0
[M]- 246.10100 156.0
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

No patent data available for this compound.