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]+ 289.11828 163.6
[M+Na]+ 311.10022 171.3
[M-H]- 287.10372 165.3
[M+NH4]+ 306.14482 177.3
[M+K]+ 327.07416 168.9
[M+H-H2O]+ 271.10826 155.2
[M+HCOO]- 333.10920 181.7
[M+CH3COO]- 347.12485 202.3
[M+Na-2H]- 309.08567 167.2
[M]+ 288.11045 167.8
[M]- 288.11155 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.