CID 58785439

9024-13-9

Structural Information

Molecular Formula

C₁₁H₁₆N₄

SMILES

CC(=NC(=NCCC1=CC=CC=C1)N)N

InChI

InChI=1S/C11H16N4/c1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,12,13,14,15)

InChIKey

RHNOFMBNSFLJPW-UHFFFAOYSA-N

Compound name

N'-[N'-(2-phenylethyl)carbamimidoyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 204.1375 Da
Monoisotopic Mass: -0.3
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]+	205.14478	147.7
[M+Na]+	227.12672	152.0
[M-H]-	203.13022	152.7
[M+NH4]+	222.17132	166.1
[M+K]+	243.10066	150.5
[M+H-H2O]+	187.13476	139.8
[M+HCOO]-	249.13570	175.8
[M+CH3COO]-	263.15135	199.1
[M+Na-2H]-	225.11217	152.3
[M]+	204.13695	144.2
[M]-	204.13805	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe