CID 189038

17321-55-0

Structural Information

Molecular Formula

C₁₁H₁₆N₄

SMILES

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

InChI

InChI=1S/C11H16N4/c12-11(13)15-8-6-14(7-9-15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,12,13)

InChIKey

UKEDWUWFALDTHW-UHFFFAOYSA-N

Compound name

4-phenylpiperazine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 57
Patents: 204.1375 Da
Monoisotopic Mass: 0.8
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]+	205.14478	147.0
[M+Na]+	227.12672	151.2
[M-H]-	203.13022	149.7
[M+NH4]+	222.17132	161.9
[M+K]+	243.10066	147.7
[M+H-H2O]+	187.13476	138.0
[M+HCOO]-	249.13570	166.1
[M+CH3COO]-	263.15135	189.1
[M+Na-2H]-	225.11217	151.7
[M]+	204.13695	138.4
[M]-	204.13805	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe