CID 3058382

75174-37-7

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCOC(=O)C(CNCN1C=NC2=CC=CC=C2C1=O)C(=O)C
InChI
InChI=1S/C16H19N3O4/c1-3-23-16(22)13(11(2)20)8-17-9-19-10-18-14-7-5-4-6-12(14)15(19)21/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKey
QJVCWYPJQGAMHM-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2-[[(4-oxoquinazolin-3-yl)methylamino]methyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 172.3
[M+Na]+ 340.12676 178.6
[M-H]- 316.13026 173.8
[M+NH4]+ 335.17136 184.4
[M+K]+ 356.10070 176.0
[M+H-H2O]+ 300.13480 163.2
[M+HCOO]- 362.13574 191.1
[M+CH3COO]- 376.15139 210.4
[M+Na-2H]- 338.11221 175.8
[M]+ 317.13699 176.1
[M]- 317.13809 176.1
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.