CID 3072195

141234-27-7

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

CN1C(CN2C1=NC=C(C2=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O3/c1-16-11(9-5-3-2-4-6-9)8-17-12(18)10(13(19)20)7-15-14(16)17/h2-7,11H,8H2,1H3,(H,19,20)

InChIKey

FMVGIYVVJVBLRK-UHFFFAOYSA-N

Compound name

1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0957 Da
Monoisotopic Mass: 1.1
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]+	272.102976	160.2
[M+Na]+	294.084918	170.2
[M-H]-	270.088424	163.5
[M+NH4]+	289.129523	174.6
[M+K]+	310.058858	165.6
[M+H-H2O]+	254.092960	151.5
[M+HCOO]-	316.093901	178.1
[M+CH3COO]-	330.109551	171.7
[M+Na-2H]-	292.070366	163.0
[M]+	271.09515142	160.9
[M]-	271.09624858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.