CID 5744100

Brn 5598920

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C20H20N2O2/c1-15-8-9-16(2)22(15)18-10-12-19(13-11-18)24-14-20(23)21-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,21,23)
InChIKey
XLACQEKQFJRMJW-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.5
[M+Na]+ 343.14169 183.4
[M-H]- 319.14519 185.3
[M+NH4]+ 338.18629 190.6
[M+K]+ 359.11563 178.5
[M+H-H2O]+ 303.14973 166.9
[M+HCOO]- 365.15067 200.3
[M+CH3COO]- 379.16632 210.1
[M+Na-2H]- 341.12714 178.3
[M]+ 320.15192 178.2
[M]- 320.15302 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.