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 153.3
[M+Na]+ 269.08967 163.4
[M-H]- 245.09317 155.6
[M+NH4]+ 264.13427 169.5
[M+K]+ 285.06361 160.3
[M+H-H2O]+ 229.09771 145.3
[M+HCOO]- 291.09865 173.7
[M+CH3COO]- 305.11430 194.4
[M+Na-2H]- 267.07512 159.4
[M]+ 246.09990 157.8
[M]- 246.10100 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.