CID 3042125

Guanidine, (4-phenyl-1-piperidinyl)-, sulfate (2:1)

Structural Information

Molecular Formula

C₁₂H₁₈N₄

SMILES

C1CN(CCC1C2=CC=CC=C2)N=C(N)N

InChI

InChI=1S/C12H18N4/c13-12(14)15-16-8-6-11(7-9-16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,13,14,15)

InChIKey

CQIHNNLKNLZFPI-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperidin-1-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.15315 Da
Monoisotopic Mass: 1.7
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]+	219.160426	149.6
[M+Na]+	241.142368	153.0
[M-H]-	217.145874	154.4
[M+NH4]+	236.186973	165.4
[M+K]+	257.116308	150.0
[M+H-H2O]+	201.150410	140.8
[M+HCOO]-	263.151351	171.6
[M+CH3COO]-	277.167001	196.3
[M+Na-2H]-	239.127816	153.7
[M]+	218.15260142	141.1
[M]-	218.15369858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe