CID 129119870

P89cp2em3c

Structural Information

Molecular Formula

C₁₄H₁₄N₄

SMILES

CC1=CC(=CC=C1)C2=CN3C=CC(=NC3=N2)N[11CH3]

InChI

InChI=1S/C14H14N4/c1-10-4-3-5-11(8-10)12-9-18-7-6-13(15-2)17-14(18)16-12/h3-9H,1-2H3,(H,15,16,17)/i2-1

InChIKey

HQNNPBZHBDAYAC-JVVVGQRLSA-N

Compound name

N-(111C)methyl-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.13329 Da
Monoisotopic Mass: 3.5
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]+	238.140566	153.0
[M+Na]+	260.122508	164.1
[M-H]-	236.126014	157.8
[M+NH4]+	255.167113	169.6
[M+K]+	276.096448	158.6
[M+H-H2O]+	220.130550	143.7
[M+HCOO]-	282.131491	176.5
[M+CH3COO]-	296.147141	166.0
[M+Na-2H]-	258.107956	160.8
[M]+	237.13274142	155.2
[M]-	237.13383858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe