CID 45496564

2089255-79-6

Structural Information

Molecular Formula

C₁₃H₁₉N₅O

SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16)

InChIKey

MSILSEAASITEGZ-UHFFFAOYSA-N

Compound name

2-[4-(4-acetylpiperazin-1-yl)phenyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 261.15897 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]+	262.166246	162.0
[M+Na]+	284.148188	165.9
[M-H]-	260.151694	165.8
[M+NH4]+	279.192793	174.9
[M+K]+	300.122128	163.1
[M+H-H2O]+	244.156230	152.4
[M+HCOO]-	306.157171	181.8
[M+CH3COO]-	320.172821	205.1
[M+Na-2H]-	282.133636	163.8
[M]+	261.15842142	154.7
[M]-	261.15951858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe