CID 729512

54368-19-3

Structural Information

Molecular Formula
C11H10N2O3
SMILES
COC(=O)CN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3
InChIKey
QKUMWDDGSYLSBF-UHFFFAOYSA-N
Compound name
methyl 2-(4-oxoquinazolin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

218.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.1
[M+Na]+ 241.058358 154.1
[M-H]- 217.061864 146.4
[M+NH4]+ 236.102963 161.1
[M+K]+ 257.032298 151.5
[M+H-H2O]+ 201.066400 136.3
[M+HCOO]- 263.067341 165.2
[M+CH3COO]- 277.082991 187.2
[M+Na-2H]- 239.043806 152.0
[M]+ 218.06859142 147.5
[M]- 218.06968858 147.5
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

patents stripe