CID 21421

N-nitrosodibenzylamine

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

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

InChI

InChI=1S/C14H14N2O/c17-15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

RZJLAUZAMYYGMS-UHFFFAOYSA-N

Compound name

N,N-dibenzylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 172
Patents: 226.11061 Da
Monoisotopic Mass: 3.2
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]+	227.117886	149.5
[M+Na]+	249.099828	155.1
[M-H]-	225.103334	158.5
[M+NH4]+	244.144433	167.6
[M+K]+	265.073768	153.3
[M+H-H2O]+	209.107870	140.8
[M+HCOO]-	271.108811	178.3
[M+CH3COO]-	285.124461	199.1
[M+Na-2H]-	247.085276	158.0
[M]+	226.11006142	150.9
[M]-	226.11115858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe