CID 210584

21312-48-1

Structural Information

Molecular Formula

C₁₅H₂₃N₃O

SMILES

CCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H23N3O/c1-2-3-8-17-9-11-18(12-10-17)15(19)13-4-6-14(16)7-5-13/h4-7H,2-3,8-12,16H2,1H3

InChIKey

KVRUOCSFOAFJAD-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-(4-butylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.1841 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]+	262.19138	164.9
[M+Na]+	284.17332	169.1
[M-H]-	260.17682	167.3
[M+NH4]+	279.21792	178.1
[M+K]+	300.14726	165.2
[M+H-H2O]+	244.18136	155.5
[M+HCOO]-	306.18230	181.8
[M+CH3COO]-	320.19795	199.3
[M+Na-2H]-	282.15877	166.2
[M]+	261.18355	160.2
[M]-	261.18465	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe