CID 3052210

Urea, 1-amidino-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₄O

SMILES

C1=CC=C(C=C1)NC(=O)N=C(N)N

InChI

InChI=1S/C8H10N4O/c9-7(10)12-8(13)11-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13)

InChIKey

AKLIBMCMOOPIEM-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 178.08546 Da
Monoisotopic Mass: 0.6
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]+	179.09274	138.6
[M+Na]+	201.07468	146.4
[M+NH4]+	196.11928	145.5
[M+K]+	217.04862	142.3
[M-H]-	177.07818	141.6
[M+Na-2H]-	199.06013	144.4
[M]+	178.08491	140.0
[M]-	178.08601	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe