CID 364058

Nsc629697

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC(=O)NC1=CC=CC=C1C2=CC=CC=C2NC(=O)C
InChI
InChI=1S/C16H16N2O2/c1-11(19)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
AYAUMNGNJKRQKS-UHFFFAOYSA-N
Compound name
N-[2-(2-acetamidophenyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

268.1212 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 162.0
[M+Na]+ 291.110418 167.9
[M-H]- 267.113924 168.9
[M+NH4]+ 286.155023 177.7
[M+K]+ 307.084358 164.6
[M+H-H2O]+ 251.118460 154.0
[M+HCOO]- 313.119401 186.6
[M+CH3COO]- 327.135051 203.2
[M+Na-2H]- 289.095866 165.9
[M]+ 268.12065142 161.2
[M]- 268.12174858 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe