CID 3074686

160776-56-7

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₃

SMILES

CCOC(=O)N1CCCN2C1=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3

InChIKey

DKEDSGOHEPZQSR-UHFFFAOYSA-N

Compound name

ethyl 6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.11133 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.118606	161.5
[M+Na]+	296.100548	170.3
[M-H]-	272.104054	162.6
[M+NH4]+	291.145153	175.7
[M+K]+	312.074488	166.4
[M+H-H2O]+	256.108590	152.0
[M+HCOO]-	318.109531	176.9
[M+CH3COO]-	332.125181	198.2
[M+Na-2H]-	294.085996	168.0
[M]+	273.11078142	162.4
[M]-	273.11187858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.