CID 17999105

104546-50-1

Structural Information

Molecular Formula

C₁₅H₂₀N₄

SMILES

CN1C=CN=C1C(C2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C15H20N4/c1-18-10-9-17-15(18)14(13-5-3-2-4-6-13)19-11-7-16-8-12-19/h2-6,9-10,14,16H,7-8,11-12H2,1H3

InChIKey

BISLYFJHPWWIIU-UHFFFAOYSA-N

Compound name

1-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 256.1688 Da
Monoisotopic Mass: 0.9
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]+	257.176076	161.6
[M+Na]+	279.158018	166.2
[M-H]-	255.161524	163.6
[M+NH4]+	274.202623	173.2
[M+K]+	295.131958	160.9
[M+H-H2O]+	239.166060	150.4
[M+HCOO]-	301.167001	175.6
[M+CH3COO]-	315.182651	170.4
[M+Na-2H]-	277.143466	163.2
[M]+	256.16825142	154.9
[M]-	256.16934858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe