CID 222027

Dibenzylcyanamide

Structural Information

Molecular Formula

C₁₅H₁₄N₂

SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H14N2/c16-13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2

InChIKey

GJAHYSLBRZODMY-UHFFFAOYSA-N

Compound name

dibenzylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 288
Patents: 222.11569 Da
Monoisotopic Mass: 3.5
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]+	223.12297	157.0
[M+Na]+	245.10491	170.5
[M+NH4]+	240.14951	163.0
[M+K]+	261.07885	158.6
[M-H]-	221.10841	155.4
[M+Na-2H]-	243.09036	164.5
[M]+	222.11514	157.8
[M]-	222.11624	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe