CID 447652

611239-38-4

Structural Information

Molecular Formula

C₁₄H₁₃N₅O

SMILES

CC1=C(N2C=CC=CC2=N1)C3=NC(=NC=C3)NC(=O)C

InChI

InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)

InChIKey

ZCRPPLDDHBLUES-UHFFFAOYSA-N

Compound name

N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 267.112 Da
Monoisotopic Mass: 1.7
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]+	268.11928	161.0
[M+Na]+	290.10122	171.9
[M-H]-	266.10472	164.6
[M+NH4]+	285.14582	174.8
[M+K]+	306.07516	166.6
[M+H-H2O]+	250.10926	150.9
[M+HCOO]-	312.11020	182.4
[M+CH3COO]-	326.12585	172.8
[M+Na-2H]-	288.08667	167.5
[M]+	267.11145	163.6
[M]-	267.11255	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe