CID 4464461

2-cyano-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC#N
InChI
InChI=1S/C15H12N2O2/c16-11-10-15(18)17-12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKey
OXHIWEJGDRONFQ-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

252.08987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 161.8
[M+Na]+ 275.079088 170.4
[M-H]- 251.082594 166.8
[M+NH4]+ 270.123693 176.2
[M+K]+ 291.053028 165.3
[M+H-H2O]+ 235.087130 147.4
[M+HCOO]- 297.088071 182.4
[M+CH3COO]- 311.103721 206.4
[M+Na-2H]- 273.064536 166.6
[M]+ 252.08932142 156.8
[M]- 252.09041858 156.8
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