CID 550840

93288-86-9

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9,13H2,1H3

InChIKey

PEIXOOFVMXCCCT-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 219.13716 Da
Monoisotopic Mass: 0.2
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]+	220.14444	151.1
[M+Na]+	242.12638	162.7
[M+NH4]+	237.17098	158.6
[M+K]+	258.10032	156.8
[M-H]-	218.12988	154.2
[M+Na-2H]-	240.11183	157.6
[M]+	219.13661	153.4
[M]-	219.13771	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe