CID 3058371

75159-44-3

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CCOC(=O)C(CN1C=NC2=CC=CC=C2C1=O)C(=O)C
InChI
InChI=1S/C15H16N2O4/c1-3-21-15(20)12(10(2)18)8-17-9-16-13-7-5-4-6-11(13)14(17)19/h4-7,9,12H,3,8H2,1-2H3
InChIKey
WLJVJQGDHUDEGM-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2-[(4-oxoquinazolin-3-yl)methyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 163.6
[M+Na]+ 311.100218 171.3
[M-H]- 287.103724 165.3
[M+NH4]+ 306.144823 177.3
[M+K]+ 327.074158 168.9
[M+H-H2O]+ 271.108260 155.2
[M+HCOO]- 333.109201 181.7
[M+CH3COO]- 347.124851 202.3
[M+Na-2H]- 309.085666 167.2
[M]+ 288.11045142 167.8
[M]- 288.11154858 167.8
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.