CID 24208947

2-(2,5-dimethylphenoxy)-n-(2-methyl-6-nitrophenyl)acetamide

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C
InChI
InChI=1S/C17H18N2O4/c1-11-7-8-12(2)15(9-11)23-10-16(20)18-17-13(3)5-4-6-14(17)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKey
AAEKBOJFRNSMGF-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-(2-methyl-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.3
[M+Na]+ 337.11587 186.1
[M+NH4]+ 332.16047 179.2
[M+K]+ 353.08981 182.1
[M-H]- 313.11937 177.8
[M+Na-2H]- 335.10132 179.4
[M]+ 314.12610 175.7
[M]- 314.12720 175.7
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.