CID 205045

1-piperazinecarboxamidine, 4-(p-chlorophenyl)-, hemisulfate

Structural Information

Molecular Formula

C₁₁H₁₅ClN₄

SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=N)N

InChI

InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)

InChIKey

HYVSDWLVUBTZRD-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)piperazine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 238.09853 Da
Monoisotopic Mass: 1.5
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]+	239.10581	154.4
[M+Na]+	261.08775	160.3
[M-H]-	237.09125	157.1
[M+NH4]+	256.13235	169.1
[M+K]+	277.06169	155.0
[M+H-H2O]+	221.09579	146.1
[M+HCOO]-	283.09673	168.8
[M+CH3COO]-	297.11238	194.0
[M+Na-2H]-	259.07320	157.7
[M]+	238.09798	148.2
[M]-	238.09908	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe