CID 97964

7251-52-7

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=N2)C(=O)N
InChI
InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
InChIKey
PYAPITOPBTXXNJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

84
Patents

212.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 146.8
[M+Na]+ 235.084178 152.6
[M-H]- 211.087684 151.4
[M+NH4]+ 230.128783 162.8
[M+K]+ 251.058118 149.2
[M+H-H2O]+ 195.092220 138.5
[M+HCOO]- 257.093161 169.0
[M+CH3COO]- 271.108811 188.8
[M+Na-2H]- 233.069626 152.5
[M]+ 212.09441142 143.8
[M]- 212.09550858 143.8
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