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]+ 301.118276 167.8
[M+Na]+ 323.100218 173.5
[M-H]- 299.103724 174.7
[M+NH4]+ 318.144823 181.6
[M+K]+ 339.074158 166.6
[M+H-H2O]+ 283.108260 164.0
[M+HCOO]- 345.109201 193.0
[M+CH3COO]- 359.124851 201.0
[M+Na-2H]- 321.085666 173.0
[M]+ 300.11045142 168.2
[M]- 300.11154858 168.2
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.