CID 455749

Imidazopyrimidine, phco deriv.

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

CCC1=C(N2C=CC=NC2=N1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O/c1-2-12-13(14(19)11-7-4-3-5-8-11)18-10-6-9-16-15(18)17-12/h3-10H,2H2,1H3

InChIKey

COXBKHBROIOJPT-UHFFFAOYSA-N

Compound name

(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 251.10587 Da
Monoisotopic Mass: 3.6
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]+	252.11315	156.5
[M+Na]+	274.09509	166.9
[M-H]-	250.09859	160.9
[M+NH4]+	269.13969	172.3
[M+K]+	290.06903	161.7
[M+H-H2O]+	234.10313	147.1
[M+HCOO]-	296.10407	177.9
[M+CH3COO]-	310.11972	169.0
[M+Na-2H]-	272.08054	162.6
[M]+	251.10532	159.3
[M]-	251.10642	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe