CID 9460

Guanidine, 1-benzyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C14H15N3/c15-14(16)17(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,15,16)

InChIKey

NEVBMUVMOAABDA-UHFFFAOYSA-N

Compound name

1-benzyl-1-phenylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 225.1266 Da
Monoisotopic Mass: 2.3
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]+	226.133876	150.9
[M+Na]+	248.115818	155.1
[M-H]-	224.119324	158.0
[M+NH4]+	243.160423	167.8
[M+K]+	264.089758	152.1
[M+H-H2O]+	208.123860	142.5
[M+HCOO]-	270.124801	177.4
[M+CH3COO]-	284.140451	199.0
[M+Na-2H]-	246.101266	157.1
[M]+	225.12605142	146.7
[M]-	225.12714858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe