CID 38099

38821-11-3

Structural Information

Molecular Formula

C₂₀H₁₈NOP

SMILES

C1=CC=C(C=C1)P(=CC(=O)N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18NOP/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,21,22)

InChIKey

NKFMHVSOHCEONZ-UHFFFAOYSA-N

Compound name

2-(triphenyl-lambda5-phosphanylidene)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 319.1126 Da
Monoisotopic Mass: 3.0
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]+	320.11988	178.1
[M+Na]+	342.10182	182.4
[M-H]-	318.10532	185.2
[M+NH4]+	337.14642	191.0
[M+K]+	358.07576	176.4
[M+H-H2O]+	302.10986	166.6
[M+HCOO]-	364.11080	204.8
[M+CH3COO]-	378.12645	208.2
[M+Na-2H]-	340.08727	179.7
[M]+	319.11205	174.3
[M]-	319.11315	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe