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]+ 318.144816 172.3
[M+Na]+ 340.126758 178.6
[M-H]- 316.130264 173.8
[M+NH4]+ 335.171363 184.4
[M+K]+ 356.100698 176.0
[M+H-H2O]+ 300.134800 163.2
[M+HCOO]- 362.135741 191.0
[M+CH3COO]- 376.151391 210.4
[M+Na-2H]- 338.112206 175.8
[M]+ 317.13699142 176.1
[M]- 317.13808858 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.