CID 3072201

141234-45-9

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₃

SMILES

CCOC(=O)C1=CN=C2N(C(CN2C1=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H17N3O3/c1-3-22-15(21)12-9-17-16-18(2)13(10-19(16)14(12)20)11-7-5-4-6-8-11/h4-9,13H,3,10H2,1-2H3

InChIKey

MOTPHZGSXYGCEL-UHFFFAOYSA-N

Compound name

ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.12698 Da
Monoisotopic Mass: 1.2
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]+	300.134256	169.1
[M+Na]+	322.116198	178.7
[M-H]-	298.119704	173.4
[M+NH4]+	317.160803	183.2
[M+K]+	338.090138	174.5
[M+H-H2O]+	282.124240	159.7
[M+HCOO]-	344.125181	187.8
[M+CH3COO]-	358.140831	203.5
[M+Na-2H]-	320.101646	171.3
[M]+	299.12643142	172.2
[M]-	299.12752858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.