CID 198996

3601-87-4

Structural Information

Molecular Formula

C₁₅H₁₈N₄O

SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H18N4O/c1-20-14-5-2-4-13(12-14)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h2-7,12H,8-11H2,1H3

InChIKey

RLWIDVQWKHKMON-UHFFFAOYSA-N

Compound name

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 270.14807 Da
Monoisotopic Mass: 2.2
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]+	271.15535	164.8
[M+Na]+	293.13729	180.1
[M+NH4]+	288.18189	172.3
[M+K]+	309.11123	172.1
[M-H]-	269.14079	169.3
[M+Na-2H]-	291.12274	174.9
[M]+	270.14752	168.3
[M]-	270.14862	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.