CID 6327858

N,n'-diphenylselenourea

Structural Information

Molecular Formula

C₁₃H₁₁N₂Se

SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)[Se]

InChI

InChI=1S/C13H11N2Se/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

HCQIMRWTFHRGOM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 275.00876 Da
Monoisotopic Mass: None
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]+	276.01604	158.5
[M+Na]+	297.99798	163.5
[M-H]-	274.00148	165.7
[M+NH4]+	293.04258	176.2
[M+K]+	313.97192	159.9
[M+H-H2O]+	258.00602	149.8
[M+HCOO]-	320.00696	185.0
[M+CH3COO]-	334.02261	195.3
[M+Na-2H]-	295.98343	165.4
[M]+	275.00821	156.5
[M]-	275.00931	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe