CID 2168117

2-(2,5-dimethylphenoxy)-n-(3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O4/c1-11-6-7-12(2)15(8-11)22-10-16(19)17-13-4-3-5-14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey
SNSUBSVBXVPFBX-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 167.7
[M+Na]+ 323.10022 181.3
[M+NH4]+ 318.14482 174.7
[M+K]+ 339.07416 177.4
[M-H]- 299.10372 173.1
[M+Na-2H]- 321.08567 175.3
[M]+ 300.11045 171.0
[M]- 300.11155 171.0
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.